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\label{chapter_results}
\section{Dielectric slab} \label{section_Dielectric slab}%{{{
\paragraph{Dispersion curves of a one-dimensional photonic crystal}%{{{
One-dimensional photonic crystals (1-D PhC) were investigated thoroughly in the previous century and they found their major application in dielectric mirrors. This represents the simplest example of periodic structures, exhibiting only a subset of different phenomena that can be observed in other periodic structures. This is due to a continuous translational symmetry in the transverse direction that excludes all phenomena with a lower symmetry.
Most importantly, no \textit{individual resonances} can occur in a 1-D PhC; all interactions with the waves occur through partial reflections of the electromagnetic waves on the interfaces of the layers. The only type of the band gap observed is of the Bragg type.
Dispersion curves for two examples of one-dimensional photonic crystals computed using PWEM are shown in Fig. \ref{fg_1dbd}.
Its left panel shows the folded dispersion curves for a plane wave propagating in vacuum on which we imposed virtual periodicity. To save space, the dispersion curves were plotted as \textit{folded}\index{dispersion!curves,folding of}, but one can easily imagine how the curve unfolds into a linear dispersion of vacuum, known as the \textit{light line}\index{light line|see {dispersion relation!in vacuum}}. No scattering occurs for homogeneous vacuum, hence for any frequency $f$, there exists a real wavenumber $k$ corresponding to a propagating wave and there are no band gaps of nonzero width.
The right panel, Fig. \ref{fg_1dbd}b, is obtained by introducing periodic layers of a dielectric with a permittivity of 12\% and a 15\% filling fraction. In the field plots, the dielectric is outlined by thin black lines. The band gaps of nonzero width correspond to frequency ranges where the waves cannot propagate through the structure. %TODO The first photonic band gap starts at the frequency, TODO at which exactly half wavelength matches the cell spacing, i.e. when $2\pi / K= a/2$ as is depicted in the subplot \textit{X1}\index{X1} of Fig. \ref{fg_1dbd}b. The next band starts at the same wavenumber $K$, but the wave now has higher frequency because in the subplot \textit{X2}\index{X2} of Fig. \ref{fg_1dbd}b it is shifted by half its period so that it maximizes the electric field energy that is localized in the areas of lower permittivity. Higher Bragg band gaps are formed by the same mechanism.
%}}}
\begin{figure}[h] %{{{ fg_1dbd
\caption[Dispersion curves in free space and in 1-D photonic crystal (PWEM results)]{Dispersion curves \textbf{(a)} in free space with virtual periodicity $a$, \textbf{(b)} in dielectric layers with permittivity $\varepsilon = 12$ and 15 \% filling fraction. \\
Side plots show the electric field in $2\times 2$ unit cells, with dielectric outlined by thin black lines. The triplet of the electric $\E$ and magnetic $\HH$ fields and the wave vector $\KK$ for the incident wave is indicated in the lower left. The electric field is plotted as a blue-white-red color map. In the left panel, corresponding to vacuum propagation, the fields acquire pure harmonic shape.} \label{fg_1dbd} \centering
\begin{overpic}[width=.48\textwidth]{img/Slab_eps001_PWEM.pdf} \put(1,96) {\textbf{(a)}}
\put(0,1){\includegraphics[width=.12\textwidth]{img/tripletKEH.pdf}}
\end{overpic}
\begin{overpic}[width=.48\textwidth]{img/Slab_eps012_d15.pdf} \put(1,96) {\textbf{(b)}} \end{overpic}
\end{figure}
%}}}
\begin{figure}[ht] %{{{ fg_Slab_fillfraction015_epsilon_comparison
\caption[1-D photonic crystal: scan through the dielectric permittivity $\epsrl \in \{4,12,20\}$ (s-parameter)]{Amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance and \textbf{(c)} effective index of refraction $\Neff$ (real part solid, imaginary part dashed) for a dielectric slab with a 15\% filling fraction in a 300 $\upmu$m unit cell, and various values of permittivity of the dielectric $\epsrl \in \{4,12,20\}$. The dashed black lines in panel (c) denote the boundaries between the first, second and further Brillouin zones.} \label{fg_Slab_fillfraction015_epsilon_comparison} \centering \vspace{-3mm}
\begin{tabular}{r}
\begin{overpic}[width=0.95\textwidth]{img-meep/Slab_fillfraction015_epsilon_comparison_r.pdf} \put (-1,27) {\textbf{(a)}} \end{overpic}\vspace{-0.065\textwidth}\\
\begin{overpic}[width=0.95\textwidth]{img-meep/Slab_fillfraction015_epsilon_comparison_t.pdf} \put (-1,27) {\textbf{(b)}} \end{overpic}\vspace{-0.058\textwidth}\\
\begin{overpic}[width=0.96\textwidth]{img-meep/Slab_fillfraction015_epsilon_comparison_n.pdf} \put (-1,37) {\textbf{(c)}} \end{overpic}\vspace{-0.\textwidth}\\
\end{tabular}
\end{figure}
%}}}
\paragraph{Characteristics of Bragg-type band gaps}%{{{
The lower and upper edge of the photonic bands are located in high-symmetry points of the Brillouin zone, such as $\mathbf{\Gamma}$ or $\mathbf{X}$, which are equivalent to the wavenumber $K=m\pi/a$ for $m\in\mathbb{Z}$ in the discussed one-dimensional case. Whenever $K$ corresponds to one of these points, the electric and magnetic fields are periodic in space, and can be easily visualized. The side plots in Fig. \ref{fg_1dbd} show the shapes of the electric field $E_x$ in the $(y,z)$ plane at respective frequencies of the band edges. To stress the fact that the field is periodic even in the $\mathbf{X}$ point, each of the side plots spans over 2$\times$2 unit cells.
An important characteristic of each field pattern is the set of all points where the field amplitude remains zero at any time. Such sets will be denoted as \textit{nodal planes}\index{nodal plane}, or also, more accurately, \textit{nodal surfaces}\index{nodal surface|see {nodal plane}}.
From all pairs of field plots that are connected by a photonic band (i.e. X2-$\Gamma2$, $\Gamma3$-X3 etc.), it can be deduced that one nodal plane dividing the unit cell in perpendicular orientation to the wave vector is always added when the frequency increases from the lower band edge to the upper one. This rule is more general and is satisfied by other structures, too.
A feature typical for all Bragg band gaps (i.e. X1-X2, $\Gamma2$-$\Gamma3$, etc. in \ref{fg_1dbd}) is that between the lower and upper edges of each band gap, the phase increase across an unit cell does not change and thus $K$ remains constant, as does the number of the nodal planes. The field does change between these points, however, and the change is in the location of the \textit{nodal planes} such that the upper band-gap edge concentrates the field energy in mostly lower-permittivity regions.
%}}}
\paragraph{Bragg and Fabry-Pérot resonances} %{{{
The \textit{Bragg condition}\index{Bragg condition} for the formation of a band gap in a periodic structure is that an integer number of half waves must fit into the unit cell; i.e. that the phase difference $\phi_{1+2}$ of the wave along the unit cell is
\begin{equation} \phi_{1+2} = d_1 n_1 \frac{\omega}{c} + d_2 n_2 \frac{\omega}{c} = \pi m, \text{ where } m\in \mathbb{Z}. \label{eq_braggcond}\end{equation}
Here $d_{1,2}$ are the thicknesses and $n_{1,2}$ are the refractive indices of the two layers.
\begin{figure}[t] \caption[1-D photonic crystal: scan through the dielectric permittivity]{\textbf{(a)} Reflectance and \textbf{(b)} the imaginary part of the retrieved refractive index for a 1-D PhC, with filling fraction of 15~\% in a 300~$\mu$m unit cell, as a function of frequency and dielectric permittivity. On the right panel, the Fabry-Pérot condition from Eq. (\ref{eq_fpcond}) are marked by a thin dash-dotted line.} \label{fg_slab_eps_scan} \centering
\begin{overpic}[width=0.48\textwidth]{img-meep/Slab_fillfraction015_epsilon_scan_r.pdf}\put(-1,80){\textbf{(a)}}\end{overpic}
\begin{overpic}[width=0.48\textwidth]{img-meep/Slab_fillfraction015_epsilon_scan_ni.pdf}\put(-1,80){\textbf{(b)}}\end{overpic}
\end{figure}
\begin{figure}[t] \caption[Reflectance, transmittance and effective parameters of the 1-D PhC, comparison of dielectric permittivity]{\textbf{(a)} Reflectance and \textbf{(b)} the imaginary part of the retrieved refractive index for a 1-D PhC, with a relative dielectric permittivity of 4, as a function of frequency and filling fraction in a 300~$\mu$m unit cell} \label{fg_slab_ff_scan} \centering
\begin{overpic}[width=0.48\textwidth]{img-meep/Slab_epsilon4_fillfraction_scan_r.pdf}\put(-1,80){\textbf{(a)}}\end{overpic}
\begin{overpic}[width=0.48\textwidth]{img-meep/Slab_epsilon4_fillfraction_scan_ni.pdf}\put(-1,80){\textbf{(b)}}\end{overpic}
\end{figure}
The width of the band gap grows with the amplitude of the wave scattered from the unit cell. This amplitude, however, also depends on frequency and, in the case of a lossless dielectric slab, it vanishes whenever an integer number of the half-waves fits into either of the dielectric layers. For comparison with Eq. (\ref{eq_braggcond}), this condition is
\begin{equation} \phi_{1} = d_1 n_1 \frac{\omega}{c} = \pi m \text{\quad or \quad} \phi_{2} = d_2 n_2 \frac{\omega}{c} = \pi m, \text{ where } m\in \mathbb{Z}. \label{eq_fpcond}\end{equation}
Note that unlike the Bragg resonance, this effect can be observed even in a single isolated unit cell; in fact it is the well known \textit{Fabry-Pérot resonance}\index{resonance!Fabry-Perot@Fabry-P\'erot}.
The vicinity of a Fabry-Pérot resonance influences the position and width the neighbouring band gap, which can be found for different values of dielectric permittivity of the slab $\epsrl\in\{4,12,20\}$ in Fig. \ref{fg_Slab_fillfraction015_epsilon_comparison}.
\label{diracpoint}
As a special case, the conditions for both Bragg and Fabry-Pérot resonances can be fulfilled simultaneously: a \textit{zero-width band gap}\index{zero-width band gap} results and two photonic bands are adjacent to each other in the same way as they were in vacuum (cf. Fig. \ref{fg_1dbd}a). In all cases of zero-width PBGs, the dispersion curves appear to approach the boundary of photonic bands (located in a high-symmetry point in the Brillouin zone) as lines with nonzero slope. In analogy with the dispersion of electrons in a solid, this can be viewed as a \textit{Dirac point for photons-polaritons}\index{Dirac point for photons-polaritons}, where the photons-polaritons have zero effective mass. The corresponding isofrequency contour may have a cusp in this point, invalidating even the generalised notion of the refractive index as elaborated in Section \ref{indexofrefraction}.
An example of a structure that exhibits multiple zero-width band gaps is the 1-D PhC with equal optical thicknesses of both slabs ($d_1 n_1 = d_2 n_2$), but multiple such points exist when the dielectric permittivity or the dielectric filling fraction is changed, as depicted in Figs. \ref{fg_slab_eps_scan} and \ref{fg_slab_ff_scan}, respectively. These plots are also the simplest examples showing the interplay between the resonances contained in the dielectric structure and the overall band-gap structure, a topic that will be discussed later in more detail.
%}}}
\paragraph{Local effective parameters of a 1-D PhC}%{{{
Employing the \textit{s-parameter}\index{scattering parameter method} method based on FDTD simulation, as described in Chapter \ref{chapter_sparam}, one can obtain the scattering parameters (i.e. complex reflectance and transmittance) of a finite layer of the periodic structure, and eventually retrieve its local effective parameters: the index of refraction $\Neff(f)$, impedance $\Zeff(f)$, permittivity $\eeff(f)$ and permeability $\meff(f)$. The first one is plotted in Fig. \ref{fg_Slab_fillfraction015_epsilon_comparison}c, allowing one to clearly identify the Bragg band gaps as regions where $\Neff'$ follows one of the Brillouin zone boundaries and $\Neff'' < 0$.
To what extent the three remaining local parameters, $\Zeff$, $\eeff$ and $\meff$, have any physical meaning? As a generally accepted approach, they will be considered meaningful only for the long wavelength limit, i.e. if $K$ is close to the $\Gamma$ point in center of the Brillouin zone where the effects of the spatial dispersion should be negligible \cite{silveirinha2009nonlocal}. According to Fig. \ref{fg_Slab_fillfraction015_epsilon_comparison}c, this is true for frequencies up to 100 or 200~GHz only.
In the low frequency limit of a 1-D PhC, it was always observed that
\begin{enumerate}
\item{$\Zeff \approx 1/\Neff$, thus the effective permeability is $\meff = \sqrt{\Neff\Zeff} \approx 1$, corresponding to our expectations for a dielectric structure without internal resonances.}
\item{The effective permittivity $\eeff$ is the weighted average of the constituent media, which determines the low-frequency limit for the refractive index:
\begin{equation} \left.\Neff\right|_{K\ll 2\pi/a} =\left. \sqrt{\eeff}\right|_{K\ll 2\pi/a} \approx \sqrt{\frac{d_1 n_1^{2} + d_2 n_2^{2}}{d_1+d_2}} \label{eq_phc_eeff}\end{equation}
}
\end{enumerate}
Notice in Fig. \ref{fg_Slab_fillfraction015_epsilon_comparison}c that $\Neff$ at higher frequencies converges towards its asymptotic value $\left.\Neff\right|_{K\rightarrow +\infty}$, which differs from the value obtained by Eq. (\ref{eq_phc_eeff}):
\begin{equation} \left.\Neff\right|_{K\rightarrow +\infty} \approx \frac{d_1 n_1 + d_2 n_2}{d_1+d_2} \label{eq_phc_neff}\end{equation}
The difference comes from the fact that in the low-frequency limit, the electromagnetic energy concentration is the highest in the areas of higher permittivity, whereas in the high-frequency limit it appears to be distributed evenly.
Note that with the correct branch retrieval procedure, the index of refraction never drops with frequency except for the photonic band gaps. A negative derivative of $\Neff(f)$ would otherwise imply the group velocity to be higher than the phase velocity \cite{mikki2009electromagnetic}, which was never observed in a 1-D PhC.
% TODO \paragraph{Transmission through a finite number of unit cells}
% illustrate the band-gap formation \cite{laktionov2008}
% (todo) find python script ----> compare TMM and FDTD for metallic slabs
% note the ripples inside the band-gap (for more cells)
% and note that the NRW effective parameters do not change; the method is exact here due to absence of evanescent fields, whose detrimental effect was described in -todo-
% finite planar structure with defect mode \cite{skoromets2013}
%\begin{figure} \caption{1red.pdf} \includegraphics[width=3cm]{img/multilay_1red.pdf}
%\caption{2gn.pdf} \includegraphics[width=3cm]{img/multilay_2gn.pdf}
%\caption{3bu.pdf} \includegraphics[width=3cm]{img/multilay_3bu.pdf}
%\caption{3grey.pdf} \includegraphics[width=3cm]{img/multilay_3grey.pdf}
%\caption{4vio.pdf} \includegraphics[width=3cm]{img/multilay_4vio.pdf} \end{figure}
%}}
\FloatBarrier %====================================================================================================
%}}} /section
\section{Wire medium} \label{chap_wiremedium}%{{{
\paragraph{High-frequency behaviour}%{{{
The structure consisting of a regular square lattice of conductive wires exhibits more interesting properties when the electric field is parallel to the wires, and this polarisation will be assumed in the following (Fig. \ref{fg_wire_drawing}a). The lattice of wires perpendicular to the electric field does not appreciably interact with the electromagnetic waves, until the wire width is of similar magnitude to their spacing; such a case is discussed in Section \ref{section_eot}.
In the high-frequency part of the spectrum above the first photonic band, the array of metallic rods in the lattice allows the light to pass through. Each layer scatters a part of the wave in a similar way to that one discussed in the previous section. Thus, the high-frequency interaction of the waves consists of photonic bands alternating with Bragg band gaps. In contrast with the dielectric PhC described above, no Fabry-Pérot resonances are observed and the scattering strength of the wire layers reduces monotonously with growing frequency.
\begin{figure}[ht] \caption[Wire array $|r|$, $|t|$, $\Neff$, $\eeff$ (s-parameter)]{Amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance \textbf{(c)} effective index of refraction $\Neff$ and \textbf{(d)} effective permittivity $\eeff$ for an array of wires made of gold, depending on the wire radius $\rho_w \in \{1, 2, 4, 8, 16\}$ $\mu$m with a fixed unit cell size $a = 100$ $\mu$m. The results were obtained by FDTD simulations with a grid resolution of 1 $\mu$m. The results for the effective permittivity have no physical value above the first band gap, in the right half of the plots.} \label{fg_Slab_fillfraction015_wireradius_scan} \centering \vspace{-3mm}
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/Wires_wireradiusscan_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.061\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/Wires_wireradiusscan_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.056\textwidth}\\
\begin{overpic}[width=0.86\textwidth]{img-meep/Wires_wireradiusscan_n.pdf} \put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.053\textwidth}\\
\begin{overpic}[width=0.858\textwidth]{img-meep/Wires_wireradiusscan_eps.pdf} \put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.030\textwidth}\\
\end{tabular}
\end{figure}
%}}}
\begin{figure}[h] %fg_wire_drawing%{{{
\caption[Drawings of the wire array and cut-wire array unit cell]{Drawings of one unit cell of \textbf{(a)} the wire array, \textbf{(b)} of the cut wire array. The unit cell is outlined by a dashed line.} \label{fg_wire_drawing} \centering
\begin{overpic}[width=0.22\textwidth]{img/drawing_wire.pdf}\put (-14,93) {\textbf{(a)}}\end{overpic}\qquad
\begin{overpic}[width=0.22\textwidth]{img/drawing_cutwire.pdf}\put (-15,93) {\textbf{(b)}}
\put(110,30){\includegraphics[width=.12\textwidth]{img/tripletEHK.pdf}}
\end{overpic}\qquad
\end{figure}
%}}}
\paragraph{Inductive behaviour at low frequencies}%{{{
At low frequencies, in contrast, the interaction of the conductive wires with the electromagnetic wave becomes very strong and leads to a behaviour completely different from that described above. For a frequency range from zero up to the \textit{effective plasma frequency}\index{frequency!effective plasma f.} $f_p$, the array exhibits a band gap where $\Neff$ is pure imaginary. Therefore, in the low-frequency part of the spectrum, the local effective permittivity $\eeff$ is a physically meaningful quantity and it follows the law typical for inductive media:
\begin{equation} \eeff(f) = 1 - \frac{f^{2}}{f_p^{2}}\label{eq_eeff_plasma}\end{equation}
Such a dependence of $\epsrl$ was already used in the Drude model in Eq. (\ref{eq_drude_eps}), and plotted in Fig. \ref{fg_Au_models}. Owing to this similarity to metals or plasma, wire arrays are denoted also as \textit{diluted metal}\index{diluted metal} or \textit{artificial plasma}\index{artificial plasma} since the 1950s \cite{merkel1973simulation, rotman1962plasma}, or as \textit{metallic delay dielectrics}\index{metallic delay dielectrics}, owing to the possibility to manipulate the phase and group velocities \cite[p. 54]{brown1953artificial}.
The physical origin of $\eeff<0$ is different from that in homogeneous metals or plasmas, where it is of \textit{kinetic} origin, i.e., due to the effective mass of electrons \cite{marques2011bulk}. In contrast, the negative effective permittivity in wire arrays is the result of the \textit{self inductance}\index{self inductance of wire} due to the magnetic field circulating around the conductor. As a result, except for optical frequencies, $f_p$ does not substantially depend on the internal plasma frequency of the constituent metal, and the above described behaviour can be obtained even if the wires are thought to be made of a perfect electric conductor (PEC).
The effective plasma frequency $f_p$ does, however, depend on the geometry described by two parameters, the wire radius $\rho_w$ and the unit cell size $a$.
The wires may also be arranged parallel to all three axes, forming a nearly isotropic plasma. Somewhat surprisingly, its behaviour differs depending on whether the wires are interconnected or not \cite{silveirinha2009nonlocal}.
%}}}
\paragraph{Behaviour close to the effective plasma frequency}%{{{
The dependence of $f_p$ on the wire radius $\rho_w \in \{1, 2, 4, 8, 16\}$ $\upmu$m is illustrated by the spectra of reflectance, transmittance, refractive index and effective permittivity in Fig. \ref{fg_Slab_fillfraction015_wireradius_scan}. The effective plasma frequency $f_p$ can be easily determined as the point where $\eeff'(f)$ crosses zero in the plot \ref{fg_Slab_fillfraction015_wireradius_scan}d. This coincides with the lower edge of the first photonic band in Fig. \ref{fg_Slab_fillfraction015_wireradius_scan}c.
At frequencies close to $f_p$, but slightly higher, the \textit{phase velocity} in nonmagnetic media
\begin{equation} v_p = \frac{c}{n} = \frac{c}{\sqrt{\eeff(f)}}\label{eq_vpwire}\end{equation}
is proportional to $(f-f_p)^{-1/2}$ and thus very high. Conversely, the \textit{group velocity} \cite{mikki2009electromagnetic}
\begin{equation} v_g = \frac{c}{n+f \frac{\partial n}{\partial f}} \label{eq_vgwire}\end{equation} % \approx 2\pi \mathrm{d}f/\mathrm{d}k = \mathrm{d}f/\mathrm{d}n
vanishes, being proportional to $(f-f_p)^{+1/2}$. Hence the product of the phase and group velocities close to $f_p$ remains nearly constant $c^2$, which is a phenomenon commonly encountered also near the \textit{cut-off frequency} of metallic waveguides.
Exactly at $f=f_p$, the wire array medium can support the longitudinal oscillations of the charges, oriented parallel to the wires. They bear a close resemblance to plasmons in bulk media \cite{pendry1996extremely}.
Notice that for a single cell, the transition from negative to positive permittivity is not accompanied by any obvious spectral feature on the reflectance/transmittance plot. Except for the zero frequency, a layer of wires has always a nonzero transmittance that increases with frequency. Independent of the wire conductivity, it is not possible to build a 100\% efficient wire polarizer.
%}}}
\begin{figure}[th]%{{{ fg_omegap_a
\begin{minipage}[c]{0.69\textwidth}
\begin{overpic}[width=.98\textwidth]{img/EWire_plasmaF_spacingscan.pdf} \put (-1,60) {\textbf{(a)}} \end{overpic}\\
\begin{overpic}[width=\textwidth]{img/EWire_plasmaF_radiusscan.pdf} \put (-1,58) {\textbf{(b)}} \end{overpic}\\
\end{minipage}
\begin{minipage}[c]{0.3\textwidth}
\caption[Comparison of numerical results and analytical models for plasma frequency $f_p$ of a wire medium]{Comparison of numerical results (dots) and two analytical models (solid and dotted lines) for plasma frequency $f_p$ of a wire medium: \textbf{(a)} $f_p$ as a function of wire spacing for two different wire radii of 16 $\mu$m and 8 $\mu$m (red and blue curves/dots, respectively). Added for comparison are the empty symbols, correspond to FDTD simulations with significantly reduced resolution (hence marked as "LR"). \textbf{(b)} $f_p$ as a function of wire radius $\rho_w$. }\vfill \label{fg_omegap_a}
\end{minipage}
\end{figure}
%}}}
\paragraph{Plasma frequency as a function of wire radius and unit cell size}%{{{
From Fig. \ref{fg_Slab_fillfraction015_wireradius_scan}, it can be also deduced that $f_p$ is approximately proportional to the logarithm of $\rho_w$ if $\rho_w \ll a$. This is related to the fact that thicker wires should have a lower self-inductance per unit length.
The effect of wire spacing $a$ is the opposite; with $a$ growing, the magnetic field has more space to circulate around the wire and $f_p$ reduces.
Different analytical models were proposed for the description of both effects. The early model by Pendry \textit{et al.} from 1996 \cite{pendry1996extremely} works well for thin wires:
\begin{equation} f_p(\rho_w,a) \approx \sqrt{\frac{c^2}{2\pi \, a^2 \, \ln(\frac{a}{\rho_w})}}. \label{eq_fp_pendry}\end{equation}
Its refinement by Maslovski \textit{et al.} from 2003 \cite{maslovski2002wire} should be valid also for wires with a relatively high filling fraction:
\begin{equation} f_p(\rho_w,a) \approx \sqrt{\frac{c^2}{2\pi \, a^2 \, \ln\left(\frac{a^2}{4\rho_w (a-\rho_w)}\right)}} \label{eq_fp_maslovski}\end{equation}
We ran two series of wire array simulations as a simple verification of the FDTD algorithm against the mentioned analytical models. In the first series plotted in Fig. \ref{fg_omegap_a}a, we kept the wire radius constant $\rho_w = 16\,\upmu$m, or and changed the wire spacing $a$ (red points). We changed the radius to $\rho_w = 8\,\upmu$m in the second batch, marked by blue points. For comparison, we plotted the plasma frequency predicted by both analytical models from Eqs. (\ref{eq_fp_maslovski}, \ref{eq_fp_pendry}) as full and dotted lines with the color corresponding to the simulation parameters, respectively.
To test the possible error introduced by the FDTD algorithm, we ran the simulation with a different resolution - results with a fine ($1$ $\upmu$m) grid are denoted by full circles, results "LR" with a coarse ($4$ $\upmu$m) grid by empty squares which are located relatively close to the respective high-resolution results.
In the second series of simulations plotted in Fig. \ref{fg_omegap_a}b, we kept the spacing constant as $a = 100$ $\upmu$m and changed the wire radius $r$. The analytical model and FDTD simulations give similar results (within 5 \%) even for wire radii approaching roughly $a/4$. For thicker wires, the analytical model predicts higher plasma frequency than FDTD. To conclude, the results of the model presented by Maslovski match the FDTD simulations with good accuracy for thin wires (where $r \lesssim a/5$). One possible application of the wire media is in constructing of negative-refractive-index metamaterials, where a small negative real value of the effective permittivity is desired.%%todo rewrite?
%}}}
%TODO \paragraph{Oblique propagation of the wave} % {{{
%ref Homogenisation of nonlocal media such as wires
%\cite{capolino2009book}
%\cite{silveirinha2007metamaterial}
%\cite{belov2003strong}
%\cite{belov2002dispersion}
%\cite{silveirinha2005homogenization}
% nice refs from 1950-1970: http://ece-research.unm.edu/summa/notes/SSN/note192.pdf
%}}}
\FloatBarrier %====================================================================================================
%}}} /section
\section{Cut wires} \label{section_cutwires}%{{{
\paragraph{Individual resonances}%{{{
The low-frequency behaviour of a wire array is determined by the distributed inductance of the wires, which introduces a negative effective permittivity up to the plasma frequency $f_p$. When the wires are cut in each unit cell as shown in Fig. \ref{fg_wire_drawing}b, a three-dimensional periodic lattice of wire segments is formed. Its important parameters are not only the inductance along each antenna, but also the capacitance across the gap between wires. In a direct analogy with a series LC (coil-capacitor) circuit, such antennas exhibit \textit{individual resonances}\index{resonances!individual in cut wires} at some nonzero resonant frequency $0<f_r<f_p$ when the cut distance $d_c$ is small compared to the unit cell size $a$.
These resonances couple to the electromagnetic field by means of their electric dipole moments, so they are denoted shortly as \textit{electric resonances}. Still, the magnetic field is essential for the resonance; in fact, the energy is exchanged between the resonant electric and magnetic fields during each quarter-period. The situation partially changes when the unit cell dimensions decrease; at optical frequencies, the energy is exchanged between the electric field and the kinetic energy of the electrons, while the magnetic field circulating around the metallic particle plays a minor role only. Such a regime is known as \textit{plasmonic resonances}\index{resonance!plasmonic} and was described by Mie in 1908 \cite{mie1908beitrage}.
% note the Bohren and Huffman implementation is in /home/filip/PhD/Misc/120400_analytic_Mie_scattering/
The spectra of cut-wire structures for different cut distances $d_c$ are depicted in Fig. \ref{fg_CutWires_wireradius1u_cutwidth_comparison}. Starting with the thinnest wires of $\rho_w = 2$ $\upmu$m (red curves), we can identify the individual resonance at frequency close to 1200~GHz where even a single layer of unit cells reflects the whole wave amplitude and the transmittance drops to zero. Towards higher or lower frequencies from the resonance, the transmittance is relatively high.
%% TODO check if the spatial dispersion would be visible in the CDH plots
%% ...even here, with particles infinitesimally thin along the wave-vector, the spatial dispersion may be significant; arguably it was observed in 1970s by Merkel \cite{merkel1973simulation}, who remarks that
%% "It is interesting that the more exact expressions for the dielectric constant of the artificial dielectric, which considered both the effect of the capacitive dipole impedance and the dipole-dipole interaction, did not model the behavior of a Lorentzian plasma as well as the original simplified approach"
%% TODO note about plasmonic particles
%}}}
\begin{figure}[h!] \caption[Cut-wire array $|r|$, $|t|$, $\Neff$, $\eeff$ (retrieved by the s-parameter method)]{Amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance, \textbf{(c)} effective index of refraction $\Neff = \Neff' + \ii \Neff''$ for the arrays of cut wires of radius $\rho_w = 1$ $\upmu$m made of gold, depending on the cut distance $\rho_w\in \{2, 4, 8, 16, 32, 64\}$ $\mu$m. The unit cell is cubic and its size is $a=100$ $\mu$m.\\%{{{
In plot \textbf{(d)}, the effective permittivity is illustrated for the thinnest cut distance $d_c = 2$ $\mu$m. Although retrieved for the entire spectrum, the local effective parameters have physical meaning only when the wavelength is much larger than $a$, i.e. roughly from 0 to 500~GHz and from 1220 to 1280~GHz.} \label{fg_CutWires_wireradius1u_cutwidth_comparison} \centering \vspace{-3mm}
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wireradius1u_cutwidth_comparison_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.059\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wireradius1u_cutwidth_comparison_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.055\textwidth}\\
\begin{overpic}[width=0.86\textwidth]{img-meep/CutWires_wireradius1u_cutwidth_comparison_n.pdf}\put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.0565\textwidth}\\
\begin{overpic}[width=0.846\textwidth]{img-meep/CutWires_wireradius1u_cutwidth_comparison_eps_r2.pdf} \put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.030\textwidth}\\
%\begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wireradius1u_cutwidth_comparison_ni.pdf}\put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-9.5mm}\\ \begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wireradius1u_cutwidth_comparison_eps_r2.pdf}\put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.030\textwidth}\\
\end{tabular}
\end{figure}
%}}}
\paragraph{Dispersion near individual resonances}%{{{
Each individual resonance in a periodic structure forms a characteristic shape in the spectrum of effective index of refraction $\Neff(f)$. The following description will therefore be applicable to individual resonances in other resonant structures, as well.
\begin{enumerate}
\item{At frequencies under the resonance, the electric dipole of the antenna oscillates in phase with the driving field and the resonance contributes to the effective index of refraction $\Neff'(f)$.
The spectrum of a periodic structure with an individual resonance differs from that of a homogeneous medium which was already described by the Lorentzian resonance curve in Fig. \ref{fg_oscillator_spectrum}b.
At some frequency below the resonance $f \lesssim f_r$, the index of refraction $\Neff'(f)$ becomes high enough to join the closest Brillouin zone boundary which was above it. From this point up to the resonant frequency $f_r$, $\Neff(f)$ has a nonzero imaginary part, and the medium exhibits a band gap.
}
\item{Exactly at the resonant frequency, the interaction of the dipole with the field changes its sign, since above the resonance, the dipole starts to be oriented opposite to the driving field.
The real part of the refractive index $\Neff'(f)$ ceases to follow one Brillouin zone and it traverses to another Brillouin zone below it. In local media, individual resonances appear to be the only occasions for $\Neff'(f)$ to traverse downwards.
The imaginary part of the refractive index, $\Neff''(f)$, is required by the Kramers-Kronig relations to exhibit a sharp peak at the resonant frequency, which is superposed over the broader background stemming from the band gap (see Fig. \ref{fg_CutWires_wireradius1u_cutwidth_comparison}c).
The spectral width of the transition and peak is inversely proportional to the quality of the resonance. Whenever the structure is built from realistic materials with nonzero losses and its spatial dispersion can be neglected, $\Neff(f)$ is a continuous complex function.
}
\item{The band gap continues up to some frequency $f > f_r$, where another photonic band begins between the same pair of Brillouin zones.
}
\end{enumerate}
The most important observation is that the resonance curves of $\Neff(f)$ in periodic structures are constrained between the closest two Brillouin zone boundaries, which can be understood as the "floor" and "ceiling" for the dispersion curve. Apparently a single individual resonance cannot shift the transmittance phase by more than $\pi$ per each layer of unit cells. It can therefore introduce a band of imaginary $\Neff$, but this is not sufficient for $\Neff$ to reach negative values. For this, elements with both electric and magnetic dipoles opposite to the driving field have to be combined.
Another observation is that two resonances of the same type, i.e. either both with an electric dipole, or both with a magnetic dipole, cannot be combined into a single wide region of negative effective parameter. This is due to the dipole changing its sign below and above the resonant frequency. Combination of multiple elements of different resonant frequencies thus leads either to multiple separate bands, or to a wide spectral region of high losses.
%The impact of the individual resonances on the effective parameters $\eeff(f)$ and $\meff(f)$ will be discussed in a later section focused on the dielectric resonators. % TODO verify that I have done this
%}}}
\paragraph{Effects of the cut distance $d_c$}%{{{
An increase in the cut distance $d_c$ clearly increases the resonant frequency $f_c$ (see Fig. \ref{fg_CutWires_wireradius1u_cutwidth_comparison}). The reason is twofold: for a cut width small relative to the unit cell size, $d_c\ll a$, it is mostly due to a reduced capacitive coupling between the cut wires; for a cut width comparable to unit cell size, $d_c \gtrsim a$, reduction of the cut-wire inductance is more important.
Both the individual and Bragg-type resonances can be identified in the plot for different $d_c$ in Fig. \ref{fg_CutWires_wireradius1u_cutwidth_comparison}c. When $d_c \sim 16$ $\upmu$m, the individual resonance shifts above 1.5~THz and exchanges its order with the Bragg band gap.
For $d_c \gtrsim 32$ $\upmu$m on, the individual resonances are similar to those for $d_c\sim 2$ $\upmu$m, but are shifted by one Brillouin zone up.
%}}}
\begin{figure}[h!] \caption[Cut-wire array $|r|$, $|t|$, $\Neff$ (retrieved by the s-parameter method), comparison of radius]{Amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance and \textbf{(c)} effective index of refraction $\Neff = \Neff' + \ii \Neff''$ for a metamaterial made of cut wires with radius $\rho_w$. Cut distance $d_c = 2$ $\mu$m, unit cell size $a=100$ $\mu$m (see Fig. \ref{fg_wire_drawing}).} \label{fg_CutWires_wirecut2um_wireradiusscan} \centering \vspace{-3mm} %{{{
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wirecut2um_wireradiusscan_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.060\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wirecut2um_wireradiusscan_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.060\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/CutWires_wirecut2um_wireradiusscan_n.pdf}\put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.030\textwidth}\\
\end{tabular}
\end{figure}
%}}}
\paragraph{Effects of the wire radius $\rho_w$}%{{{
The dependence of the resonant frequency $f_c$ on the wire radius, Fig. \ref{fg_CutWires_wirecut2um_wireradiusscan}, is somewhat more complicated: For thin enough wires in the $a=100$ $\upmu$m unit cell, the resonant frequency decreases with growing $\rho_w$, since the inter-wire capacity increases.
For high enough $\rho_w$ the opposite mechanism prevails; $f_c(\rho_w)$ then starts growing as a result of reduction of the wire inductance.
While the changes in the cut-wire radius $\rho_w$ relatively weakly influence the resonant frequency, they have a major impact on the \textit{strength}\index{resonance!strength of} of the individual resonances. Thick wires lead to a stronger reflectance out of resonances, which also reflects itself in the wider band gap in Fig. \ref{fg_CutWires_wirecut2um_wireradiusscan}c.
%}}}
\paragraph{Experimental measurement of cut wire spectra}%{{{
Although we did not fabricate any cut-wire metamaterial, we used the terahertz time-domain spectroscopy to characterise cut-wire-on-silicon structures, one representative of which is photographed and sketched in Fig. \ref{fg_bousek}. The metallic wires were deposited on a silicon substrate, and at their ends, the silicon was doped to form diode-like transitions.
\begin{figure}[ht] \caption[Microphotograph and the geometry of the cut-wire sample]{The sample of cut wires (pale yellow) on silicon (cyan) substrate. \textbf{(a)} Natural-colour photograph from an optical microscope, \textbf{(b)} Geometry of the wires in micrometres. They were measured to be $6.5$ $\mu$m wide and $30$ $\mu$m long. The periodicity of cut-wires was $30\times 50$ $\mu$m. } \label{fg_bousek} \centering
\begin{overpic}[height=.40\textwidth]{img/bousek_splitwires_microphoto.pdf} \put(0,78) {\textbf{(a)}} \end{overpic}\quad
\begin{overpic}[height=.40\textwidth]{img/bousek_splitwires_drawing.pdf} \put(0,95) {\textbf{(b)}}
\put(55,0){\includegraphics[width=.12\textwidth]{img/tripletEKH.pdf}} % todo
\end{overpic}
\end{figure}
This kind of structure was designed to operate as a switch for the terahertz radiation, controlled by the current that flows along the orientation of the wires and modulates the conductivity of semiconductor transitions at the ends of each cut wire. For an unknown reason, the modulation of the terahertz signal was very weak, if any, in all of 7 supplied samples. The only observed kind of systematic modulation manifested itself as a 2.2\% drop in amplitude of the transmitted terahertz waveform, and its temporal advance by no more than 18 fs. These values required to feed the structure with a strong modulation signal, dissipating roughly 10 watt peak thermal power.
The sample presented above in Fig. \ref{fg_bousek}, though not applicable as a modulator, exhibits a clear electric resonance around 1550~GHz. This resonance is substantially broadened and weakened by the losses of the structure (red line in Fig. \ref{fg_bousekspectra}). A FDTD simulation of thin metallic stripes 30 $\upmu$m long and 6.5 $\upmu$m wide on a silicon substrate did not match the experimental spectra quite well (green line in Fig. \ref{fg_bousekspectra}).
%}}}
\begin{figure}[ht] % fg_bousekspectra%{{{
\caption[Comparison of experimental and simulated transmittance spectra of the cut-wire array]{Comparison of experimental (red line) and simulated transmittance spectra (green and blue lines) of the cut-wire array on a silicon substrate. The green line corresponds to the original geometry from Fig. \ref{fg_bousek}b; a better match with the experiment is obtained by changing the length of stripes from 30 to 40 $\mu$m (blue line).} \label{fg_bousekspectra} \centering
\begin{overpic}[width=.85\textwidth]{img-expe/bousek.pdf}\end{overpic}
\end{figure}
A much better match was obtained by simple elongation of the conductive stripes to 40 $\upmu$m (blue line in Fig. \ref{fg_bousekspectra}). This may reflect the fact that the wires were surrounded by highly doped, conductive zones of silicon.
Although not taking into account the dissipative losses, such a simulation identifies correctly the resonance frequency of the stripes. It also, at least quantitatively, matches the asymmetric spectral shape, which is caused by the onset of diffraction into the silicon substrate at $f_c = c/(50\;$ $\upmu$m$)/N_{\text{Si}} \approx 1730$ GHz.
The presented simulations were not optimized for the dissipative losses in silicon, which could be modelled with more detailed knowledge of the structure preparation. %TODO unduplicate rewrite?
%}}}
% \FloatBarrier %====================================================================================================
% \section{Electric resonators} \label{section_esrr} % note about plasmonic particles
% OFF \paragraph{Comparison of spectra to the cut wires}%{{{
% From Figs. \ref{fg_CutWires_wirecut2um_wireradiusscan} and \ref{fg_CutWires_wireradius1u_cutwidth_comparison} it follows that for any practically attainable geometry, the frequency of the first individual resonance in cut-wire arrays is always relatively close to the first Bragg band gap.
%
% A viable way to shift the resonant frequency much lower, without changing the unit cell size nor resorting to submicrometre cut distances, is to replace straight wire antennas by \textit{electric split-ring resonators}\index{electric split-ring resonators}, % TODO cite
% depicted in Fig. \ref{fg_eSRR}.
%}}}
\FloatBarrier %====================================================================================================
%}}} /section
\section{Split-ring resonator} \label{section_srr} % %{{{
\paragraph{Resonances with magnetic dipole moment}%{{{
The fundamental resonance in a cut wire has an electric dipole moment only. The resonant magnetic field circulates around the wire and due to its rotational symmetry along the $x$-axis, the magnetic dipole moment is zero. Other structures can support resonances without symmetry with regard to the $x$-axis, thus having a magnetic dipole moment.
One of the simplest examples is formed by bending a wire into a "C"-shaped \textit{split-ring resonator}\index{split-ring resonator!spectra} (SRR). To reduce the resonant frequency without changing the SRR diameter, capacitor pads can be added to the cut, as shown in a side view in Fig. \ref{fg_SRR_types}a. The first resonance in its spectrum has a dominant magnetic dipole moment, and it will be denoted simply as the \textit{magnetic resonance}\index{resonance!individual magnetic}. The electric current flows through the wire along a circular path, while the magnetic field has a toroidal shape around the wire.
The very concept of SRR is at least as old as the Hertz's experiments with the spark-gap transmitter from the 1880s.
As described in the historical review of Ref. \cite[pp. 120--126]{solymar2009waves}, first SRR arrays were built in the early 1980s with the aim to build an effective medium with highly lossy complex permeability; a decade later asymmetric SRRs were used to achieve strong bianisotropy. Many publications cite Refs. \cite{pendry1999magnetism,pendry2000negative} from Pendry et al. as the first application of SRR array for achieving negative effective permeability and index of refraction, respectively. Since then, the number of SRR-related publications has grown rapidly.
\label{negn_srr}
\begin{figure}[h] \caption[Drawings of the symmetric and asymmetric split-ring resonators]{Variants of the split-ring resonators, viewed from the side perpendicular to the magnetic field: \textbf{(a)} classical SRR with low symmetry, \textbf{(b)} symmetric SRR with two splits.} \label{fg_SRR_types} \centering
\begin{overpic}[height=0.25\textwidth]{img/drawing_SRRpad.pdf}\put (1,80) {\textbf{(a)}}\end{overpic}\qquad
\begin{overpic}[height=0.25\textwidth]{img/drawing_sSRRpad.pdf}\put (-2,80) {\textbf{(b)}}
\put(110,30){\includegraphics[width=.12\textwidth]{img/tripletEHK.pdf}}
\end{overpic}\qquad
\end{figure}
%}}}
\paragraph{Symmetry of the split ring resonator}%{{{
The orientation of the splitting in the SRR determines the possible coupling between its electric and magnetic dipoles. In particular, when the splitting is on the front or rear side of the ring relative to the direction of wave propagation, the predominantly magnetic resonance creates also a weak electric dipole, leading to optical activity \cite{marques2007negative}.
Simultaneously, it precludes to use the common homogenisation approaches, since the scattering parameters retrieval method assumes that the structure is symmetric along the axis of wave propagation, i.e., that its reflectance is equal from both sides. Asymmetric structures therefore have properties that cannot be matched by any (reciprocal) homogeneous medium.
The symmetry is restored again by considering a \textit{symmetric split ring resonator}\index{split-ring resonator!symmetric} (sSRR), depicted in Fig. \ref{fg_SRR_types}b, which has two splittings at opposing position on the ring.
% A. Andryieuski, C. Menzel, C. Rockstuhl, R. Malureanu, and A.V. Lavrinenko, The split cube in a cage: %bulk negative-index material for infrared applications, Journal of Optics A: Pure and Applied Optics,
%vol. 11, p. 114010, 2009.
This is documented by the results in Fig. \ref{fg_SRR_principles}. The SRR with a single splitting is represented by red lines; while its magnitude of reflectance and transmittance in the plots \ref{fg_SRR_principles}a,b appear similar to these of a cut wire, the computation of the refractive index yields a spectrum (in panel \ref{fg_SRR_principles}c) which has no reasonable interpretation near the resonance at 500~GHz and above it.
The symmetric resonator is represented by green curves. In Fig. \ref{fg_SRR_principles}c, the refractive index follows a resonance pattern that was already described on the example of the cut wires: the curve rises up to the upper Brillouin zone boundary, follows it for a span of frequencies, drops to the Brillouin zone boundary below, follows it again and then a next band starts.
At higher frequencies, outside the range of Fig. \ref{fg_SRR_principles}, the SRR exhibits also an electric resonance where the current flows symmetrically along both its arms. It is assumed that any structure should support an infinite number of resonances, of which only the lowest few are usually of practical interest.
%}}}
\paragraph{Antiresonances in local effective parameters}%{{{
In the case of symmetric split-ring resonators, the first resonance possesses only the magnetic dipole moment, as follows from the symmetry of the resonant fields. This fact implies a strong resonant behaviour of the permeability $\meff(f)$ (green curve in Fig. \ref{fg_SRR_principles}e, between 600 and 700~GHz).
The permittivity spectrum $\eeff(f)$ is, however, also affected by the magnetic dipole resonance (Fig. \ref{fg_SRR_principles}d). The impact of the magnetic resonance on $\eeff(f)$ is several times weaker than on $\meff(f)$, and more importantly, it has the opposite sign: The real part of $\eeff'(f)$ is reduced at frequencies below the resonance, and enhanced above it. Simultaneously, in the chosen $e^{\ii\omega t}$ convention, the positive sign of the imaginary part $\eeff''(f)$ would imply an amplification of the electric field oscillating around 650~GHz, which is impossible in a structure composed of lossy materials only. This feature in the spectrum is sometimes described as an \textit{antiresonance}\index{antiresonance} and has incited much discussion in the literature \cite{koschny2003resonant, wallen2011anti}.
%}}}
\paragraph{Physical relevance of effective parameters in their local approximation}%{{{
We believe that the influence of a magnetic resonance on $\eeff(f)$, or conversely, of an electric resonance of $\meff(f)$, is a mere artifact of approximating a strongly nonlocal structure with a concept of local effective parameters. It can be shown that antiresonances become stronger at higher frequencies, as the wavelength $2\pi/K$ becomes similar to the unit cell size $a$.
In Ref. \cite{wallen2011anti}, it is argued that % against this interpretation with
\begin{displayquote}
\textit{the periodicity cannot \ldots be the only explanation since qualitatively similar antiresonances have been reported using the measured data for a disordered high permittivity composite.}
\end{displayquote}
The true origin of antiresonances and other deviations of $\eeff(f)$ and $\meff(f)$ from the Lorentzian resonance curve can however be attributed to the presence of photonic band gaps and nonlocal response of the structure. These effects are, to some extent, maintained also under randomizing the unit cell positions \cite{peng2007},
and there is probably no need to seek for another explanation. %%TODO review, rewrite?
% \cite{alu2010} "Restoring the physical meaning of MM constitutive parameters"
%An elaborate comparison of resonant metallic structures, with clear effect of adding the wire to the transmittance spectra, can be found e.g. in Ref. \cite{koschny2004effective}.
%Ref. \cite{li2009determination} contains typical complex-valued spectra of $\eeff$ and $\meff$ for a SRR and SRR-Wire
% different orientations - some leading to chirality i.e. linear dependence of f(K)
% when not failing due to chirality, s-param yields beautifully similar results to our simulations!
% "CMM = Composite MetaMaterial"
%}}}
\paragraph{Comparison of the s-parameters method and current-driven homogenisation}%{{{
With local effective parameters $\eeff(f)$ and $\meff(f)$ appearing to lose their physical meaning in a frequency range near a resonance, the question remains to what extent the dispersion curves, or equivalently, the spectrum of effective index of refraction $\Neff(f)$ are applicable. While the Bloch's theorem in Eq. (\ref{eq_bloch}) suggests that the dispersion curves for the Bloch's wavevector $\KK$ can be determined for any periodic structure, the s-parameter method might return invalid values.
Dispersion curves obtained by the s-parameters method and by the current-driven homogenisation (CDH) are compared in Fig. \ref{fg_cdh5}. Although these methods are fundamentally different, their results overlap, and thus one can assume that the array of symmetric split-ring resonators can be treated as homogeneous with a well-defined index of refraction $\Neff(f)$ for the Bloch's wave over the whole spectrum. Its local effective parameters $\eeff(f)$ and $\meff(f)$, however, seem to have no useful physical interpretation near the resonances, where the Bloch's wavelength is similar to the unit cell size. They remain useful farther from the resonance, though. % todo perhaps add some particular frequency ranges from the Fig.
%}}}
\paragraph{Variants of split-ring resonators}%{{{
\begin{figure}[t] \caption[Drawings of alternative designs of split-ring resonantors]{Other variants of split-ring resonators: \textbf{(a)} double SRR, \textbf{(b)} symmetric version thereof, \textbf{(c)} double SRR with cross-connection between the inner and outer rings, \textbf{(d)} illustration of a square variant of the double SRR, \textbf{(e)} "omega" structure aimed to introduce $\Neff'<0$, \textbf{(f)} cut-wire pair} \label{fg_SRRothers} \centering
\begin{overpic}[height=0.22\textwidth]{img/drawing_dSRRpad.pdf} \put (1,81) {\textbf{(a)}}\end{overpic}\quad
\begin{overpic}[height=0.22\textwidth]{img/drawing_dsSRRpad.pdf} \put (1,81) {\textbf{(b)}}\end{overpic}\quad
\begin{overpic}[height=0.22\textwidth]{img/drawing_dSRRcrossed.pdf}\put (1,81) {\textbf{(c)}}\end{overpic}\\
\begin{overpic}[height=0.22\textwidth]{img/drawing_dSRRsquare.pdf} \put (-7,81) {\textbf{(d)}}\end{overpic}\quad
\begin{overpic}[height=0.22\textwidth]{img/drawing_SRRomega.pdf} \put (-6,81) {\textbf{(e)}}\end{overpic}\quad
\begin{overpic}[height=0.22\textwidth]{img/drawing_strippair.pdf} \put (1,81) {\textbf{(f)}}
\put(100,30){\includegraphics[width=.12\textwidth]{img/tripletEHK.pdf}}
\end{overpic}\quad
\end{figure}
Diverse metamaterial designs based on the SRR principle were developed.
Many SRR designs involve a smaller ring nested inside the original one, as shown in Fig. \ref{fg_SRRothers}a,b in the asymmetric and symmetric variants. The long narrow gap between the inner and outer split rings enhances their capacitive coupling. In this way, the frequency of the magnetic resonance can be reduced without increasing the overall SRR dimensions. Such designs usually do not need capacitor pads, and can be made by etching or microlitography.
A modification of this \textit{double split-ring}\index{metamaterial!double split-ring} design includes a cross-connection between the inner and outer conductors as in Fig. \ref{fg_SRRothers}c; this version breaks the mirror symmetry, but restores the central symmetry.
Such resonators can be attached to each side of the unit cell, forming a nearly-isotropic, three-dimensional metamaterial \cite{marques2007negative}. However, some highly symmetric structures that eliminate anisotropy still enable near-field coupling between the electric and magnetic fields; this effect is sometimes denoted as \textit{bi-isotropy}\index{biisotropy} \cite{jelinek2008periodic}.
%BIISOTROPY two identical conducting rings etched on both sides of a dielectric substrate and connected by a via in order to obtain a "quasi-planar" helicoidal shape
%A similar SRR modification having a two-turn helical form \cite{marques2007negative} XXX XXX
% TODO \cite{marques2007negative} SRRTYPES
% TODO \cite{marques2007negative} ANALYTICAL SRR MODEL
The square "ring" resonator (Fig. \ref{fg_SRRothers}d) is also widely used, without any substantial difference from the round SRR.
The \textit{omega structure}\index{metamaterial!omega structure} was designed to emulate the operation of a SRR and a wire simultaneously \cite[pp. 62--72]{croenne2009controle}, by interconnecting the ends of a SRR along the $x$-axis (Fig. \ref{fg_SRRothers}e).
All SRR structures in Fig. \ref{fg_SRRothers} can be made flat in the plane perpendicular to the magnetic field, which facilitates their fabrication. At terahertz and higher frequencies, using a thin metal film should not be much detrimental to the SRR conductivity, since the skin depth caused by eddy currents is often submicroscopic \cite{gibbons2010scalable}.
A similar way of operation is achieved by structures which extend infinitely in the direction of the magnetic field of the incident wave. This allows one to fabricate magnetic resonators by rolling stripes of a semi-metallised plastic foil, producing a \textit{swiss-roll}\index{metamaterial!swiss-roll} metamaterial \cite{gibbons2010scalable}, or by partially sputter-coating a polymer fibre by a metal \cite{wang2011fiber}. Such structures however seem to exhibit relatively high losses when applied above the microwave range.
The metallic \textit{cut-wire pair}\index{metamaterial!cut-wire pair}, or also \textit{strip pair}\index{metamaterial!strip pair}, metamaterial depicted in Fig. \ref{fg_SRRothers}f, was designed for operation in the infrared or optical range. It can be understood as a split-ring resonator flattened along the direction of the wave vector. The geometry is tuned so that the electric and magnetic resonances overlap.
At the radio frequency range up to 100s MHz, each split-ring resonator can be connected to a small electric circuit which may provide gain \cite{jelinek2011fet} in the metamaterial. The effective parameter spectra of such an active metamaterial do not have to conform to the Kramers-Kronig relations anymore, since the spectrum of the medium response may acquire any sign of its imaginary part.
%}}}
\paragraph{SRR in a wire array} %{{{
The analysis of the wire arrays has shown that at low frequencies, their effective permittivity is physically valid and has a negative value. Likewise, the symmetric SRRs have a region in the spectrum above its magnetic resonance where the effective permeability is negative, too.
A combination of these two structures yields a region of negative index of refraction, probably the first \cite{pendry2000negative} and most prominent metamaterial design to achieve this. The possibility of combining structures that interact exclusively with magnetic and electric field is nontrivial, discussed in more detail e.g. Refs. \cite{koschny2004effective, baena2007towards}.
The resulting effective parameters are represented by the blue line in Fig. \ref{fg_SRR_principles}. Its spectrum of the effective index of refraction resembles that of the wire array up to 630~GHz, where it drops by one Brillouin zone down at the resonant frequency.
As a rule, a single individual resonance always causes $\Neff'(f)$ to drop from one Brillouin zone boundary to another, which should be observed in all correctly retrieved spectra.
Notice that the magnetic resonances cause a drop in $\Neff'(f)$ even without the wire array (green curve in Fig. \ref{fg_SRR_principles}c), but in such a case it happens between the first Brillouin zone boundary and zero. Without wires, $\Neff'$ does not reach negative values.
By contrast, a magnetic resonance in the combined SRR-wire structure introduces a narrow region, still within the photonic band gap, where the index of refraction follows the \textit{minus-first} Brillouin zone boundary:
\begin{equation} \Neff(f) = -\;\frac{c}{2 a f}, \label{eq_BZN2}\end{equation}
with $a$ being the unit cell size. This means that the whole photonic band spanning from 635 to 670~GHz has $\Neff'<0$. The effective permittivity and permeability with physical meaning can be retrieved only when $\Neff'$ comes close to zero, roughly from 650 to 670~GHz. Then they are correctly retrieved as both negative, as can be indeed seen in Figs. \ref{fg_SRR_principles}d,e (blue lines).
%}}}
\paragraph{Fano resonance} %{{{
The spectrum of reflectance magnitude $|r(f)|$ for the sSRR-wire structure (blue line in Fig. \ref{fg_SRR_principles}a) has a relatively complex shape -- starting from a high reflectance introduced by the wire array, it rises below the magnetic resonance, then it drops to zero around 660~GHz, and it rises until its local maximum on 750~GHz is reached.
The resonance profile differs significantly from the arguably simpler spectrum of the cut wires (Figs. \ref{fg_CutWires_wireradius1u_cutwidth_comparison}a and \ref{fg_CutWires_wirecut2um_wireradiusscan}a), where the resonance was accompanied by a single peak in reflectance.
The reason is in that with the sSRR-wire structure, $|r(f)|$ is a linear superposition of the wave scattered by the interaction of the structure with the electric dipole, which has a relatively large amplitude $r_{1}(f)$ over broad spectral range, and another wave $r_{2}(f)$ scattered by the magnetic dipole of the split-ring which is prominent only close to its magnetic resonance, between 550 and 750~GHz.
Both scattered components, $r_1(f)$ and $r_2(f)$, are complex functions. The phase of the wave scattered by a resonant element differs almost by $\pi$ when $f$ is below and above the resonance. The impact on the plot of the overall reflectance is in a change from a constructive to destructive interference between the two components.
Such typical spectral features, observed whenever a narrower resonance overlaps with another broader one, are known as \textit{Fano resonances}\index{resonance!Fano resonance}, and can be found on most following plots of $|r(f)|$ or $|t(f)|$. The Fano spectral profile comes from a natural interference between waves scattered by different mechanisms: whenever the spectrum of a structure close to a magnetic dipole resonance does not fall into the class of possible Fano resonance profiles, it suggests the homogenisation has failed. For an example of such an error, see the spectra of the asymmetric SRR in Fig. \ref{fg_SRR_principles}.
%Complementary observations can be made with the transmittance spectrum, as both kinds of structures have negligible losses.
%}}}
\begin{figure}[t] % fg_SRR_principles %{{{
\caption[Split-ring resonators $|r|$, $|t|$, $\Neff$, $\eeff$ and $\meff$ (retrieved by the s-parameter method)]{Spectra obtained by simulations of THz waves incident on three different structures:
the asymmetric SRR with split width $d=4$ $\mu$m (red curves), its symmetric variant sSRR (double split width $d=2$ $\mu$m) and the same sSRR with wire grid added (blue curves). \\
\textbf{(a)} Amplitude of reflectance, \textbf{(b)} amplitude of transmittance, \textbf{(c)} effective index of refraction, \textbf{(d)} effective permittivity $\eeff$ and \textbf{(e)} effective permeability $\meff$. Note that in panels (c)-(e), the dispersion curves nor effective parameters for the asymmetric SRR could not be determined by the scattering parameters method. %% todo check params comment=sSRR with wire_resolution=2.000e-06_capacitorr=1.000e-05_splitting=4.000e-06_wirethick=4.000e-06_splitting2=4.000e-06_radius=3.000e-05_simtime=2.000e-10
In all cases, the outer ring radius was $\rho = 30$ $\mu$m, conductor cross-section $\Delta\rho = 6$ $\mu$m and unit cell size $a=100$ $\mu$m. \\
} \label{fg_SRR_principles} \centering \vspace{-3mm}
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/SRR_principles_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.058\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SRR_principles_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.057\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SRR_principles_n.pdf}\put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.053\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SRR_principles_eps.pdf}\put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.053\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SRR_principles_mu.pdf}\put (-1,28) {\textbf{(e)}} \end{overpic}\vspace{-0.030\textwidth}\\
\end{tabular}
\end{figure}
\begin{figure}[h] \caption[Dispersion curves for split-ring resonator with and without a wire mesh (comparison of the CDH and s-parameter results)]{Current-driven homogenisation results, shown as bubbles, indicating the dispersion curves
for \textbf{(a)} a symmetric split-ring resonator and \textbf{(b)} the same with a wire mesh. The area of each bubble corresponds to the relative amplitude of the respective harmonic component at the given frequency, as detected by the FDM algorithm; the blue shading on the background denotes the amplitude of the excited electric field as computed directly by Fourier transform.\\The results of the scattering-parameters method are overlaid as green lines; these show the same data as the green and blue solid lines from Fig. \ref{fg_SRR_principles}c. \\To save plotting space, in the right panel, the negative-index range of frequencies between 630 and 670~GHz was mirrored against the $K=0$ vertical axis and plotted by a dashed green line.} \label{fg_cdh5} \centering % todo add params SRRArray_comment=symmetric SRR_simtime=2.000e-10_wirethick=0.000e+00_splitting2=1.600e-05_radius=3.000e-05_model=SRRArray.pdf
% TODO recalculate and update
\vspace{.1\textwidth}
\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_sSRR.pdf}
\put(1,96) {\textbf{(a)}}
\put(18,100){\includegraphics[width=.1\textwidth]{img/drawing_sSRRpad.pdf}}
\put(31,105){sSRR}
\end{overpic}
\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_sSRR_wire.pdf}
\put(16,100){\includegraphics[width=.1\textwidth]{img/drawing_sSRRpad_wire.pdf}}
\put(29,105){sSRR + wire}
\put(1,96) {\textbf{(b)}}
\end{overpic}
\end{figure}
% todo possibly recalculate CDH for the SRR as in \ref{fg_SRR_principles}
%\begin{figure}[h] \caption{Current-driven homogenisation results for the split-ring resonator \textbf{(a)} without the wire mesh and \textbf{(b)} with the wire mesh.
%} \label{fg_cdh4} \centering
%\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_SRR.pdf} \put(1,96) {\textbf{(a)}} \end{overpic}
%\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_SRRWire.pdf} \put(1,96) {\textbf{(b)}} \end{overpic}
%\end{figure}
%}}}
\FloatBarrier %====================================================================================================
%}}} /section
\section{Combined electric and magnetic resonator} \label{section_emsrr} %{{{
\paragraph{Effect of the central bar in SRR}%{{{
In contrast to all previously discussed structures, the fundamental resonance of a split-ring resonator (SRR) couples to the field through a magnetic dipole and the electric current flows around the circumference of the SRR. Therefore, the frequency of the magnetic resonance does not change significantly even when central bar parallel to the incident electric field is added (see Fig. \ref{fg_SRR_elmag}a). From the symmetry of the resonant fields it follows that in the magnetic resonance zero current flows through the central bar.
However, a new electric resonance (Fig. \ref{fg_emcSRR_resonances}b) is introduced by adding the bar, characterized by a current flowing through the central bar antiparallel to that conducted through the outer SRR arms. Simulations have shown that the corresponding frequency is lower compared to the original parallel electric resonance (Fig. \ref{fg_emcSRR_resonances}c), and similar to the frequency of the magnetic resonance (Fig. \ref{fg_emcSRR_resonances}a).
\begin{figure}[h] \caption[Drawings of the modification of the split-ring resonator with a central bar]{\textbf{(a)} A modification of a split-ring resonator with a central bar, \textbf{(b)} a similar structure where the central bar was split by another circular capacitor with a radius $\rho_c$, allowing to tune the antiparallel electric resonance} \label{fg_SRR_elmag} \centering
\begin{overpic}[height=0.25\textwidth]{img/drawing_eSRRpad.pdf}\put (1,80) {\textbf{(a)}}\end{overpic}\quad\quad\quad
\begin{overpic}[height=0.25\textwidth]{img/drawing_emcSRRpad_sizes.pdf}\put (1,80) {\textbf{(b)}}\end{overpic}
\end{figure}
\begin{figure}[b] \caption[Drawings of the resonance modes in split-ring resonators]{Three low-frequency resonances in the combined SRRs: \textbf{(a)} magnetic resonance, \textbf{(b)} antiparallel electric resonance, \textbf{(c)} parallel electric resonance.\\ The actual order of the first two resonances in the spectrum is determined by the inner capacitor radius $\rho_c$ and other parameters of the resonator.} \label{fg_emcSRR_resonances} \centering
\begin{overpic}[height=0.22\textwidth]{img/drawing_emcSRRpad_resM.pdf}\put (1,81) {\textbf{(a)}}\end{overpic}\quad
\begin{overpic}[height=0.22\textwidth]{img/drawing_emcSRRpad_resE2.pdf}\put (1,81) {\textbf{(b)}}\end{overpic}\quad
\begin{overpic}[height=0.22\textwidth]{img/drawing_emcSRRpad_resE2b.pdf}\put (5,54) {\textbf{(c)}}
\put(100,10){\includegraphics[width=.1\textwidth]{img/tripletEHK.pdf}}
\end{overpic}\qquad\quad
\end{figure}
%}}}
\paragraph{Tuning the frequency of the antiparallel electric resonance}%{{{
The spectra of cut wires (Fig. \ref{fg_CutWires_wireradius1u_cutwidth_comparison}) suggest that each electric resonance, unless it is preceded by a Bragg band gap, or excessively lossy, introduces a region in the spectrum where the local effective permittivity has a physically meaningful and negative value. Under the same conditions, the magnetic resonance introduces a region of $\meff(f) < 0$.
\begin{figure}[t] \caption[Computed electric-magnetic resonator $|r|$, $|t|$ and $\Neff$ (retrieved by the s-parameter method)]{Simulated spectra of the electric-magnetic resonators shown in Fig. \ref{fg_SRR_elmag}: amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance and \textbf{(c)} effective index of refraction $\Neff = \Neff' + \ii \Neff''$.
% todo check the structure parameters
%Outer ring radius $\rho = 30$ $\mu$m, conductor cross-section $\Delta\rho = 6$ $\mu$m, unit cell size $a=100$ $\mu$m. \\
%Comparison of the more familiar standard SRR (split width $d=4$ $\mu$m) with a symmetric SRR (double split width $d=2$ $\mu$m) and the same symmetric SRR with wire grid added. The effective parameters for the asymmetric SRR could not be determined by the scattering parameters method. %TODO params and comment
The frequency of the electric resonance is tuned by the series capacitor radius $\rho_c$ on the central bar.
} \label{fg_emSRR_icr} \centering \vspace{-3mm}
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/emSRR_inner_capacitor_radius_scan_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.056\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/emSRR_inner_capacitor_radius_scan_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.053\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/emSRR_inner_capacitor_radius_scan_n.pdf} \put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.030\textwidth}\\
\end{tabular}
\end{figure}
By optimizing the structure geometry, the resonances can be tuned against each other so that the regions of $\eeff(f) < 0$ and $\meff(f) < 0$ overlap. This is the conventional approach to design a metamaterial with a negative index of refraction; applying it to the electro-magnetic resonator leads to an array of independent, separate elements, which may be an advantage over embedding SRRs in a wire array. One of the means of tuning the frequency of the antiparallel electric resonance is to divide the central bar by an \textit{inner}\index{inner} capacitor as shown in Fig. \ref{fg_SRR_elmag}b.
If the inner capacitor is relatively small, with inner capacitor radius $\rho_c = 6$ $\upmu$m, the electric resonance is located around 1150~GHz, and it shifts down to 940~GHz when $\rho_c$ is increased to 8 $\upmu$m. By contrast, the magnetic resonance is virtually independent of $\rho_c$ and remains close to 800~GHz. Both individual resonances can be identified clearly in the spectra by the points of zero transmittance and by the corresponding steep, but still continuous, drops in the refractive index (red and light green curves in Fig. \ref{fg_emSRR_icr}). For $\rho_c \leq 8$ $\upmu$m, the resonances are separated by a photonic band, indicating that the regions of $\eeff(f) < 0$ and $\meff(f) < 0$ do not overlap.
However an attempt to reduce the frequency of the electric resonance further, in order to obtain negative index of refraction $\Neff'<0$ in the region of overlap, leads to confusing results (cyan curves in Fig. \ref{fg_emSRR_icr}).
For $\rho_c \in \langle10, 16\rangle$ $\upmu$m, the scattering parameters method retrieves apparently erroneous spectra with two distinct band gaps, but without any individual resonance.
A more detailed parametric scan through these problematic values of $\rho_c$ can be found in Fig. \ref{fg_emSRR_icrscan}.
\begin{figure}[t] \caption[Combined electric-magnetic resonator $|r|$ and $\Neff''$ (scan through the inner capacitor radius)]{\textbf{(a)} Reflectance and \textbf{(b)} the imaginary part of the refractive index of the electro-magnetic split-ring resonator, retrieved by the scattering parameters method, } \label{fg_emSRR_icrscan} \centering
\begin{overpic}[width=0.48\textwidth]{img-meep/emSRR_inner_capacitor_radius_scan_HR_r.pdf}\put(-1,80){\textbf{(a)}}\end{overpic}
\begin{overpic}[width=0.48\textwidth]{img-meep/emSRR_inner_capacitor_radius_scan_HR_ni.pdf}\put(-1,80){\textbf{(b)}}\end{overpic}
\end{figure}
The effective parameters retrieved by the s-parameters method become easy to interpret for $\rho_c \geq 18$ $\upmu$m. The antiparallel resonance at 690~GHz is again well separated from the magnetic one, which remains near its original frequency (dark blue curves in Fig. \ref{fg_emSRR_icr}). Further explanation of these results is beyond the capabilities of the scattering parameters method, and it necessitates the more expensive computational approach using the current-driven homogenisation (CDH) method.
%}}}
\begin{figure}[t] \caption[Dispersion curves for the electro-magnetic resonator for $\rho_c\in{6,8}$ $\upmu$m (comparison of the CDH and s-parameter results)]{Current-driven homogenisation results for the combined electric-magnetic resonator, differing by the inner capacitor radius \textbf{(a)} $\rho_c = 6$ $\mu$m, \textbf{(b)} $\rho_c = 8$ $\mu$m.} \label{fg_cdh1} \centering %{{{
\vspace{.1\textwidth}
\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_emcSRRcap06.pdf}
\put(1,96) {\textbf{(a)}}
\put(18,100){\includegraphics[width=.1\textwidth]{img/drawing_emcSRRpad.pdf}}
\put(30,105){$\rho_c = 6$ $\upmu$m}
\end{overpic}
\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_emcSRRcap08.pdf}
\put(18,100){\includegraphics[width=.1\textwidth]{img/drawing_emcSRRpad.pdf}}
\put(30,105){$\rho_c = 8$ $\upmu$m}
\put(1,96) {\textbf{(b)}}
\end{overpic}
\end{figure}
%}}}
\paragraph{Current-driven homogenisation and spatial dispersion}%{{{
CDH results for the same structure parameters, $\rho_c\in\{6,8,10,18\}$ $\upmu$m are presented in Figs. \ref{fg_cdh1} and \ref{fg_cdh2}. For comparison, the dispersion curves corresponding to the $\Neff'(f)$ retrieved by the scattering parameters method are shown by green lines.
For $\rho_c=6$ $\upmu$m, both retrieval methods yield relatively similar results, and they identify correctly two indirect band gaps, the first of which corresponds to the magnetic resonance, and the second to the antiparallel electric one. The match is not as good as in Fig. \ref{fg_cdh5}, though. Namely the magnetic resonance around 800~GHz appears somewhat wider when retrieved by the s-parameters method, compared to CDH. The deviation can be attributed to the structure being surrounded by vacuum instead of sensing the near fields of the surrounding cells (cf. page \pageref{cdhadvantages}).
The value of $\rho_c=8$ $\upmu$m used for the right panel of Fig. \ref{fg_cdh1} was not chosen randomly, since for this inner capacitor radius, the spatial dispersion starts to affect substantially the dispersion curve of the second photonic band. It starts in the $\mathbf \Gamma$ point at 794~GHz with a positive group velocity and reaches its maximum of 890~GHz, but with growing $K$, the group velocity changes its sign and the band ends in the $\mathbf X$ point at ca. 887~GHz. At a given frequency between 887 and 890~GHz, two solutions of the wave equation exist that differ merely by the wavevector. The s-parameters method has no means of distinguishing them, and accordingly, the retrieved dispersion curve deviates from that retrieved by CDH.
The spatial dispersion is even more evident in Fig. \ref{fg_cdh2}, where the frequencies of the second photonic band in the $\mathbf \Gamma$ and $\mathbf X$ points come close to each other, amounting to 784 and 795~GHz, respectively. The central maximum of the band is on 828~GHz, which explains why the s-parameters method no longer correctly determines the dispersion curve shape, nor it identifies any of the resonances.
These issues persist until $\rho_c \geq 18$ $\upmu$m, when the second photonic band becomes a relatively flat function of the wavenumber $K$. Both resonances are then retrieved correctly again, except for a systematic error in the frequency determination which may arise from the already discussed difference in the simulation geometry used by the s-parameters method.
%}}}
\begin{figure}[t] \caption[Dispersion curves for the electro-magnetic resonator for $\rho_c\in{10,18}$ $\upmu$m (comparison of the CDH and s-parameter results)]{Current-driven homogenisation results for the combined electric-magnetic resonator, differing by the inner capacitor radius \textbf{(a)} $\rho_c = 10$ $\mu$m, \textbf{(b)} $\rho_c = 18$ $\mu$m.} \label{fg_cdh2} \centering %{{{
\vspace{.1\textwidth}
\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_emcSRRcap10.pdf}
\put(1,96) {\textbf{(a)}}
\put(18,100){\includegraphics[width=.1\textwidth]{img/drawing_emcSRRpad.pdf}}
\put(30,105){$\rho_c = 10$ $\upmu$m}
\end{overpic}
\begin{overpic}[width=.48\textwidth]{img-cdh/cdh_emcSRRcap18.pdf}
\put(18,100){\includegraphics[width=.1\textwidth]{img/drawing_emcSRRpad.pdf}}
\put(30,105){$\rho_c = 18$ $\upmu$m}
\put(1,96) {\textbf{(b)}}
\end{overpic}
\end{figure}
%}}}
\paragraph{Is this a negative-refraction structure?}%{{{
The electro-magnetic resonator was examined as an example structure which, particularly in its magnetic resonance, exhibits a strong electric quadrupole moment, leading to a prominent spatial dispersion. Figures \ref{fg_cdh1} and \ref{fg_cdh2} illustrated that not only the s-parameters retrieval algorithm fails, but also the very idea of describing the structure behaviour in terms of refractive index $\Neff(f)$ cannot describe all dispersion curves observed the physical reality.
A similar failure of the s-parameters method in homogenisation of an array of SRRs in a wire lattice was reported previously, \cite{rockstuhl2008transition}, showing that $\Neff(f)$ can be determined only for a relatively big spacing between the metallic elements.
% TODO \cite{marques2011bulk} Magneto-Inductive Waves -- at frequencies near the ring resonance and come from the inductive coupling between rings
% ... and maybe this was noted by Silveirinha2009
% Nonlocal homogenisation of an array of cubic particles made of resonant rings
For particular values of the inner capacitor radius $\rho_c \in \langle8,16\rangle$ $\upmu$m, the second photonic band supports simultaneously a wave of group velocity collinear with the phase velocity, and an \textit{additional wave}\index{additional wave} with a higher wavenumber and opposite direction of these velocities.
The interface of this metamaterial with vacuum should exhibit negative refraction, provided the auxiliary boundary conditions are arranged to couple all energy exclusively to the described additional wave with a relatively high Bloch's wavevector. In any other case, the single-valued index of refraction is not sufficient for description of this kind of metamaterial -- even for propagation nearly parallel to the optical axis.
%}}}
\FloatBarrier %====================================================================================================
%}}} /section
\section{Dielectric spheres} %{{{
\paragraph{Mie resonances}%{{{
Already in Eqs. (\ref{eq_rho_n1}, \ref{eq_rho_n2}) it was assumed that at higher frequencies, there is no difference between the effect of conduction and the polarisation currents. The current flowing around a split-ring resonator has a direct analogy in the polarisation current circulating in a dielectric particle, be it a torus of dielectric \cite{jelinek2009artificial}, or a sphere \cite{obrien2002photonic}. The capacitor of the SRR is then replaced by the distributed capacitance of the whole dielectric. For the first resonance in spherical dielectric particles, the magnetic dipole moment induced by the polarisation current points through the sphere center, as can be found from the resonant field shape in Fig. \ref{fg_Mie}a. The resonant frequency is inversely proportional to the radius $\rho$ of the sphere and it decreases monotonously with the growth of the dielectric permittivity $\epsrl$.
The second resonance (Fig. \ref{fg_Mie}b) has an electric dipole moment. It is similar to the magnetic one, but the electric and magnetic fields exchange their topology: The magnetic field circulates around the axis of the sphere, and the polarisation current forms the electric dipole. In spite of the similarity of both resonances, the frequency of the magnetic resonance is lower, since it allows the electric field to be more localized in the dielectric volume. In contrast, for the electric resonance, most of the streamlines of the electric field have to pass through the surrounding air (see Fig \ref{fg_Mie}a,b). %merlin2009metamaterials
\begin{figure}[h] %% fg_Spheres_lossscan
\caption[Dielectric spheres: Snapshot of the electric and magnetic fields in the first Mie resonance]{The electric field component $E_x$ (shaded in blue-white-red) and magnetic field components $H_y,H_z$ (plotted as vectors) for \textbf{(a)} the magnetic and \textbf{(b)} electric Mie resonances in a dielectric sphere. The figure is in the $y$-$z$ plane of mirror symmetry, so the fields have no other nonzero components than those shown here. On the right side, the vectors depict the right-hand vector triplet of the incident plane wave.}\label{fg_Mie} \centering
\begin{overpic}[width=.35\textwidth]{img/sphere_Mie_mode_magnetic.pdf} \put(1,93) {\textbf{(a)}} \end{overpic}
\begin{overpic}[width=.35\textwidth]{img/sphere_Mie_mode_electric.pdf} \put(1,93) {\textbf{(b)}}
\put(100,30){\includegraphics[width=.12\textwidth]{img/tripletHEK.pdf}}
\end{overpic}
\end{figure}
An analytical theory of electromagnetic resonances in dielectric spheres (or rods) was developed by Mie in 1908 \cite{mie1908beitrage}, and correspondingly they are denoted as \textit{Mie resonances}\index{Mie resonances}.
Dielectric resonators operate in a similar way to a series L-C circuit, as was noticed by Richtmyer in 1939 \cite{richtmyer1939dielectric}. Few decades later, the dielectric resonator found its use in the developing microwave technology; usually it takes the form of a millimetre-sized ceramic disc glued to a microstrip circuits.
The Mie theory describes the scattering from a single particle surrounded by vacuum, but for high-permittivity dielectrics, the resonant fields are well confined in the dielectric volume and are not appreciably affected by the presence of the neighbouring cells, so the Mie theory remains applicable.
An artificial dielectric consisting of dielectric particles with effective permeability differing from unity was considered by Lewin in 1947 \cite{lewin1947electrical}; apparently it was not until 2002 when O'Brien et al. computed \cite{obrien2002photonic} that the effective permeability of such a structure may be negative.
\label{negn_diel}
Infinite number of the higher-order resonances exist \cite[pp. 407-408]{mie1908beitrage}, resembling the set of single-electron orbitals around an atomic nucleus. Many of these, e.g. most \textit{d}-type orbitals, have zero electric or magnetic dipole moments. Dipole moments of many others are nonzero, but are not oriented parallel to the fields of the incident wave, and do not couple to the electromagnetic wave. In the spectrum of an array of dielectric spheres, one can identify clearly an alternating series of electric and magnetic resonances, of which the first three are easy to identify in Fig. \ref{fg_Spheres_lossscan}. Each of them manifests itself as a peak in reflectance, and as a pair of resonance in $\meff(f)$ and antiresonance \index{antiresonance} in $\eeff(f)$, or vice versa.
%% todo cite vendik, Zhao etc. from the directory
%}}}
\begin{figure}[h!] %fg_Spheres_lossscan %{{{
\caption[Dielectric spheres $|r|$, $|t|$, $\Neff$, $\eeff$ and $\meff$ (retrieved by the s-parameter method)]{\textbf{(a)} Amplitude of reflectance, \textbf{(b)} amplitude of transmittance, \textbf{(c)} effective index of refraction $\Neff = \Neff' + \ii \Neff''$, \textbf{(d)} effective permittivity $\eeff = \eeff'+\ii\eeff''$ and \textbf{(e)} effective permeability $\meff = \meff'+\ii\meff''$ of TiO$_{2}$ spheres with varied loss compared to the natural one from Ref. \cite{baumard1977_epsilon_TiO2}; sphere radius $\rho = 30$ $\mu$m, unit cell size $a=100$ $\upmu$m.} \label{fg_Spheres_lossscan} \centering \vspace{-0.0\textwidth}
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/Spheres_lossscan_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.060\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/Spheres_lossscan_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.060\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/Spheres_lossscan_n.pdf} \put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.055\textwidth}\\
\begin{overpic}[width=0.858\textwidth]{img-meep/Spheres_lossscan_eps.pdf}\put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.055\textwidth}\\
\begin{overpic}[width=0.858\textwidth]{img-meep/Spheres_lossscan_mu.pdf} \put (-1,28) {\textbf{(e)}} \end{overpic}\vspace{-8mm}\\
\end{tabular}
\end{figure}
%}}}
\paragraph{Dielectric losses}%{{{
Unlike split-ring resonators, where the high-frequency dissipative losses depend on many factors such as the metal surface, eddy currents and fine details in the geometry, the losses in dielectric resonators can be more accurately modelled and their effect can be computed reliably by the FDTD simulation.
We used a realistic model \cite{baumard1977_epsilon_TiO2} of permittivity of polycrystalline rutile (TiO$_{2}$), which was already plotted in Fig. \ref{fg_tio2eps}. In the terahertz range it counts among high-permittivity dielectrics with relatively low losses compared to similar materials:
\begin{equation}\epsrl(f=1\text{ THz}) = 94.2-2.43\text{i}. \label{eq_tio2}\end{equation}
The actual permittivity of the experimentally measured samples depends on their preparation, in particular the volume fraction of microscopic voids. For such composites, Ref. \cite{baumard1977_epsilon_TiO2} gives only the ratio of $\epsrl''/\epsrl'$, but since $\epsrl'$ could be determined from the resonant frequencies in the experimental spectra, also the imaginary part could be inferred.
The reflectance, transmittance and effective parameters of rutile spheres with radius $\rho=15\;\upmu$m are compared in Fig. \ref{fg_Spheres_lossscan}. Three different levels of losses were considered. The realistic value was denoted as 100 \%, and it was accompanied with hypothetic low-loss dielectrics with the same real part of $\epsrl'$, but the imaginary part $\epsrl''$ artificially reduced to 10 \% and 1 \%.
In all three cases, the magnetic resonance is located at 530~GHz and the electric one at 790~GHz, the second magnetic resonance follows at 1040~GHz. As a natural result of the Lorentzian model, the dielectric losses grow proportional to the frequency. Notice that around the resonant frequencies, the transmittance is higher in the case with high losses.
When the realistic losses are taken into account, the curves of the effective parameters in Figs. \ref{fg_Spheres_lossscan}c,d,e become smoother and approach the familiar curve of the damped oscillator in Fig. \ref{fg_oscillator_spectrum}. Strong enough losses can even prevent the formation of regions with negative effective parameters. Note, however, that formally $\Neff'$ can become negative \cite[pp. 12--15]{pazoutova2011dp} even when either $\eeff'>0$ or $\meff'>0$. Such a negative-index medium is however inevitably extremely lossy, which is represented by its \textit{figure of merit}\index{figure of merit}
\begin{equation} \text{FOM} := \frac{\Neff'(f)}{\Neff''(f)} \lesssim 10. \label{eq_fom}\end{equation}
At the right hand side of the plot, for $f \sim a/(2c) \approx$~1.5~THz, the structure reaches a Bragg band gap. This kind of resonance is not appreciably affected by the losses, since most of the field energy in the Bragg resonance is concentrated in free space between the particles.
%}}}
\begin{figure}[h!] %% SphereWire_principles %{{{
\caption[Dielectric spheres with wires $|r|$, $|t|$, $\Neff$, $\eeff$ and $\meff$ (retrieved by the s-parameter method)]{Amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance, \textbf{(c)} effective index of refraction $\Neff = \Neff' + \ii \Neff''$, \textbf{(d)} effective permittivity $\eeff = \eeff'+\ii\eeff''$ and \textbf{(e)} effective permeability $\meff = \meff'+\ii\meff''$ of TiO$_{2}$ spheres, wire grid array, a combined negative-index structure and its modification with varied loss compared to the natural one from Ref. \cite{baumard1977_epsilon_TiO2}; sphere radius $\rho = 30$ $\upmu$m, unit cell size $a=100$ $\upmu$m.} \label{fg_SphereWire_principles} \centering \vspace{-3mm} %% TODO
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/SphereWire_principles_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.058\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SphereWire_principles_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.058\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SphereWire_principles_n.pdf} \put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.053\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SphereWire_principles_eps.pdf}\put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.053\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/SphereWire_principles_mu.pdf} \put (-1,28) {\textbf{(e)}} \end{overpic}\vspace{-0.050\textwidth}\\
\end{tabular}
\end{figure}
%}}}
\paragraph{Negative-index metamaterial based on dielectric spheres} %{{{
An important property of the periodic sphere array is its nearly \textit{isotropic}\index{isotropic} electromagnetic behaviour, i.e. independence of its behaviour on the wave polarisation, which is approximately maintained at low frequencies even when the spheres are arranged into a periodic lattice, provided that the spheres are not too close.
% todo Cai_Zhu2008-Diel_resonators_wires.pdf
Following the approach used to build a metamaterial with a negative refractive index from SRRs, it is possible to combine the sphere array with an array of wires to introduce negative permittivity and permeability simultaneously. In order to maintain the approximate isotropy of the resulting structure, the wires may form a two- or three-dimensional mesh. This modification does not make any appreciable change in the low-frequency behaviour. % todo link to the wire mesh simulation
Fig. \ref{fg_SphereWire_principles} compares the already commented spectra for the sphere lattice (red line), and wire grid (blue line) with the spectra for the compound structure, which is sketched in Fig. \ref{fg_spherewire_sketch}a,c. At $f>0$, the wire grid does not reflect all energy, leading again to formation of the Fano resonance profile.
Notice in \ref{fg_SphereWire_principles} that the Fano resonances of structures with and without the wire mesh have a peculiar complementary shape. The wave reflected from the electric dipole of the wire mesh has the opposite sign than that reflected from the electric dipole of dielectric particles. Its sign determines whether the interference with the second component, scattered by the Mie resonances, would be constructive, or destructive.
A band of negative index of refraction is formed above the magnetic Mie resonance, between 510 and 550~GHz. When the realistic model of losses in TiO$_2$ is used, the maximum figure of merit $\Neff'/\Neff'' \approx 6$ is reached around the centre of the photonic band. This means that the metamaterial, in the optimum of the negative-index band, reduces the wave amplitude to $e^{1/6} \approx 0.84$ within one wavelength $\lambda$.
When a wave propagates over a distance of ca. $40\lambda$ in the metamaterial, the amplitude drops to $10^{-3}$ and the wave energy to $10^{-6}$ of the incident value. The applicability of such a metamaterial for building a macroscopic optical device is questionable. % todo \cite{zhao2009mie}
%Another way of achieving negative refractive index is in overlapping the electric and magnetic resonances \cite{holloway2003double} - similar to the el mag resonator above, has low spatial dispersion - but: tight requirements, double losses \cite{zhao2009mie}
%}}}
\paragraph{Effect of elliptic shape}%{{{
For a spherical dielectric particle, the frequencies of the magnetic and electric resonances, $f_{\text{M1}}$ and $f_{\text{E1}}$, respectively, scale inversely proportional to the radius $\rho$:
\begin{equation} f_{\text{M1}} \propto \rho^{-1}, \quad f_{\text{E1}} \propto \rho^{-1}. \label{eq_freq_rho}\end{equation}
A deviation from this rule may result from the inter-particle coupling in a very dense lattice, or from dispersion of the constituent dielectric.
When the particle is an ellipsoid with three independent semiaxes $\rho_x$, $\rho_y$ and $\rho_z$ aligned parallel to the $x$-, $y$- and $z$-axes, the resonant frequencies $f_{\text{M1}}$ and $f_{\text{E1}}$ become certain functions of these three ellipsoid parameters. For a nearly spherical shape,
$$\rho_x \sim \rho_y \sim \rho_z,$$
we observed that both frequencies can be approximated as
\begin{equation} f_{\text{M1}} \propto \rho_x^{-0.4} \rho_y^{-0.2} \rho_z^{-0.4}, \label{eq_freqM1_rhoxyz}\end{equation}
\begin{equation} f_{\text{E1}} \propto \rho_x^{-0.15} \rho_y^{-0.15} \rho_z^{-0.7}. \label{eq_freqE1_rhoxyz}\end{equation}
Obviously, in both Eqs. (\ref{eq_freqM1_rhoxyz}) and (\ref{eq_freqE1_rhoxyz}), all three exponents must sum exactly to -1 so that they are compatible with the scaling rule for a sphere in Eq. (\ref{eq_freq_rho}). Their values are approximate only, as they were interpolated from batches of simulations which scanned through the ellipsoid parameters.
When the ellipsoid axes have a general orientation with regard to their cubic lattice, the resonant frequencies remain almost the same. In such a case, an incident wave polarized along the $x$-axis can excite multiple magnetic or electric Mie resonances of the same topology but of different orientation, which differ slightly by their frequencies. The structure then may change the polarisation state of the wave, which is beyond the scope of this analysis.
%}}}
\begin{figure}[t] % fg_spherewire_sketch%{{{
\caption[Drawings of the sphere array in the wire grid]{Sketch of the sphere array embedded in the wire grid. \textbf{(a)} Front view of the simulated structure, \textbf{(b)} the experimental structure used in Ref. \cite{yakiyama2012terahertz}, measures are in micrometres. \textbf{(c)} and \textbf{(d)} top views of the corresponding structures} \label{fg_spherewire_sketch} \centering
\begin{overpic}[width=0.30\textwidth]{img/SphereWire_num_xy.pdf} \put (1,81) {\textbf{(a)}}\end{overpic}\quad
\begin{overpic}[width=0.30\textwidth]{img/SphereWire_expe_xy.pdf} \put (1,81) {\textbf{(b)}}
\put(100,30){\includegraphics[width=.12\textwidth]{img/tripletEKH.pdf}}
\end{overpic}\quad \\
\begin{overpic}[width=0.30\textwidth]{img/SphereWire_num_xz.pdf} \put (1,61) {\textbf{(c)}}\end{overpic}\quad
\begin{overpic}[width=0.30\textwidth]{img/SphereWire_expe_xz.pdf} \put (1,61) {\textbf{(d)}}
\put(100,10){\includegraphics[width=.12\textwidth]{img/tripletKEH.pdf}}
\end{overpic}\quad
\end{figure}
%}}}
\begin{figure}[ht] % fg_mm2012_convolution %{{{
\caption[Comparison of the effective permeability $\meff(f)$ of an ideal monodisperse sphere array, weighted average according to the size distribution and experimental data]{Comparison of the effective permeability $\meff(f)$ of an ideal monodisperse sphere array (dashed red line), weighted average according to the size distribution (solid black line) and experimental data (green dots). \textbf{(a)} Real part of effective permeability for a sample denoted as having the "40-50" $\mu$m diameter, \textbf{(b)} for another sample with slightly larger average diameter, also depicted in Fig. \ref{fg_microphoto}. \textbf{(c)}, \textbf{(d)} corresponding imaginary parts of $\meff(f)$}
\label{fg_mm2012_convolution} \centering
\includegraphics[width=\textwidth]{img-expe/sphere_convolution/mm2012_convolution.pdf}
%/home/sklad/Zalohy/p120528-fzu/p/PhD_TiO2/120118_TiO2_mikrofoto_a_Riadova_simulace
\end{figure}
%}}}
\paragraph{Experimental spectra of spheres} %{{{
We measured series of spectra of titanium microsphere samples using the terahertz time-domain spectroscopy. We used the scheme described on pages \pageref{srtm}--\pageref{srtm2} to retrieve not only the transmittance of the single-layered sample, but also the reflectance, which enabled us to approximately compute the effective parameters of a metamaterial which would be made by arranging the spheres into a lattice.
The first magnetic Mie resonance was easy to identify in the spectra. The exact quantitative comparison of the results was also possible, but of lesser physical meaning, since two most important quantities, the resonant frequency and the oscillator strength (i.e. amplitude of the resonant waveform) could not be characterised reliably.
In particular, the exact dielectric permittivity of the polycrystalline rutile samples was not known, and over multiple measurements, our group established a consensus of $\epsrl' \approx 94$ as in Eq. (\ref{eq_tio2}), which provided the best match with most experimental data.
Second, the oscillator strength of the first Mie resonance does not allow for a direct comparison with the experiment. While it could be determined reliably in the simulations with a given unit-cell size $a$, the exact density of the microspheres was very hard to determine exactly. They were attached to one of the sapphires by static electricity, and their position was random. Upon manipulation with the samples, part of the spheres fell off the sapphire surface. Moreover, we had no reliable way of determining through which part of the sample the probing THz beam passed.
%}}}
\paragraph{Comparison of experimental and simulated spectra}%{{{
The effective permeability of two samples having different average sphere sizes is represented by dots in Fig. \ref{fg_mm2012_convolution}. The FDTD simulations for an array of identical TiO$_{2}$ spheres yielded much narrower resonant spectra of $\meff(f)$, which are represented by dashed red lines.
To enable a direct comparison, we used the granulometric data obtained by digital processing of the microscopic images. Using the granulometric data,, the effective radius of a sphere $\rho_{\text{eff}}$ was estimated for each particle from the minor $\rho_a$ and major axes $\rho_b$:
\begin{equation} \rho_{\text{eff}}^{(m)} := \left[\frac{2}{3\left(\rho_a^{(m)}\right)^2} + \frac{1}{3\left(\rho_b^{(m)}\right)^2}\right]^{-0.5} \label{eq_rhoconvol}\end{equation}
%bin_particle_size = (1./3*bin_major**-2 + 1./3*bin_minor**-2 + 1./3*bin_minor**-2)**-.5
This expression is based on the assumption that the ellipsoids will orient horizontally when sprinkled on the microscope slide, thus making the shortest axis vertical and hidden from the statistical processing. Obviously, it is arbitrary to assume the shortest and medium ellipsoid axis will be both equal to $\rho_b$, but this approach yielded a relatively good match with experiment.
The most accurate procedure would be to determine all three axes of the particle and predict its resonance spectra by means of Eqs. (\ref{eq_freqM1_rhoxyz}), (\ref{eq_freqE1_rhoxyz}). Without the knowledge of all three ellipsoid axes, the spherical approximation using Eq. (\ref{eq_rhoconvol}) however appears as an acceptable approach.
From the FDTD simulations, we deduced that the resonant frequency of a TiO$_{2}$ sphere is inversely proportional to its effective radius $\rho_{\text{eff}}^{(m)}$, and its scattering cross-section to the square thereof. Once a reference permeability spectrum $\meff^{\text{(ref)}}(f)$ was computed for a reference radius $\rho^{\text{ref}}$, the experimental spectra could be estimated as the following weighted sum over all $M$ particles processed:
\begin{equation} \meff^{\text{(simulated)}}(f) := 1 + \frac{\sum\limits_{m=0}^{M} \left(\rho_{\text{eff}}^{(m)}\right)^{2} \left[ \meff^{\text{(ref)}}\left(\frac{f \rho_{\text{eff}}^{(m)}}{\rho^{\text{ref}} }\right) - 1 \right]}{\sum\limits_{m=0}^{M} \left(\rho_{\text{eff}}^{(m)}\right)^{2}}. \label{eq_sumconvol}\end{equation}
The result, plotted by thick black curves in Fig. \ref{fg_mm2012_convolution}, corresponds to a weighted average through the particle statistics, with the weight proportional to the scattering cross-section of each particle. The averaged simulation results are relatively close to the experimental data at frequencies around the first magnetic Mie resonance (around 600 and 480~GHz, respectively).
At higher frequencies, the experimental data deviate substantially from the predictions. This can be attributed to one or more sources of error in the experimental setup for effective-parameter retrieval.
%bin_weight_coef = (bin_particle_size/sim_particle_size)**filling_factor_power
%bin_weight = bin_particle_count[n] * bin_weight_coef
%total_bins_weight += bin_weight
%## Calculate response of the bin
%scaled_sim_x = sim_x * (sim_particle_size/bin_particle_size) * (sim_particle_eps/meas_particle_eps)
%interp_function = interp1d(scaled_sim_x, sim_y, kind='linear', bounds_error=False)
%bin_response_n = (interp_function(meas_x) - vacuum_property) * bin_weight
%total_response_n += bin_response_n
%## Calculate which particle size is the average
%average_particle_totalsize += bin_particle_size * bin_weight
%average_particle_totalweight += bin_weight
%}}}
\paragraph{Narrowing the resonance by sieving} %{{{
The broad dispersion of the microsphere sizes leads to a broadening of the Mie resonance, which is detrimental to the metamaterial performance. In the samples measured, it precludes $\meff'(f)$ from reaching negative values. It also spreads the very strong dissipative losses, introduced by a resonance, over a broader spectral range, including the region where the FDTD simulations in Fig. \ref{fg_Spheres_lossscan} would otherwise predict relatively low losses and $\meff'(f) < 0$.
With the aim to resolve this issue which affected all microsphere samples, we developed the novel sieving technique described in the experimental section of this thesis. Fig. \ref{fg_sphere_sieving} compares the independently measured spectra of $\Neff(f)$, $\eeff(f)$ and $\meff(f)$ for three different fractions of one sample. The green line corresponds to the oversized fraction that remained above the first sieve, the red line to the correctly sized fraction that passed the first sieve but remained above the second one, and the blue line to the remaining fraction that passed both sieves.
Moderate narrowing of the resonance spectral shape can be observed for the correctly sized fraction, with the remaining fractions being shifted in the frequency as predicted. The intermediate fraction consistently exhibits more pronounced resonance in the permeability. %The results of the sieving, however, remain inconclusive.
Simultaneously all spectra measured are burdened with one or more severe errors of the characterisation method. Namely in Fig. \ref{fg_sphere_sieving}, the simulations cannot explain the pronounced resonance in retrieved effective permittivity, which appears to be an artifact from the asymmetry of the sample between two sapphire plates. This may be also the cause of the spectra of $\eeff(f)$ and $\meff$ usually deviating from the expected values at higher frequencies.
However, the truly fundamental limitation are the dissipative losses in TiO$_{2}$, already shown in Fig. \ref{fg_SphereWire_principles}. They impose a tight upper bound for the figure of merit of any terahertz metamaterial based on TiO$_{2}$ resonators.
%}}}
\begin{figure}[h!] %{{{ fg_sphere_sieving
\caption[Comparison of retrieved effective parameters for three fractions of the microspheres sample]{Comparison of retrieved effective parameters for three fractions of the microspheres sample: \textbf{(a)} effective index of refraction, \textbf{(b)} permittivity and \textbf{(c)} permeability. } \label{fg_sphere_sieving} \centering \vspace{-3mm}
\begin{overpic}[width=0.86\textwidth]{img-expe/sphere_sieving/sphere_sieving_n.pdf}\put(-1,38){\textbf{(a)}} \end{overpic}\vspace{-0.046\textwidth}\\
\hspace{1.7mm}\begin{overpic}[width=0.85\textwidth]{img-expe/sphere_sieving/sphere_sieving_eps.pdf}\put(-1,38){\textbf{(b)}} \end{overpic}\vspace{-0.047\textwidth}\\
\begin{overpic}[width=0.86\textwidth]{img-expe/sphere_sieving/sphere_sieving_mu.pdf}\put(-1,38){\textbf{(c)}} \end{overpic}\vspace{-0.036\textwidth}\\
\end{figure}
%}}}
\paragraph{Spheres in a metallic mesh} %{{{
We attempted to fabricate one layer of a negative-index metamaterial by embedding resonant particles into the holes of a metallic sieve. This kind of structures is predicted to have a negative index of refraction above the first Mie resonance of the spheres (see the green curve in Fig. \ref{fg_SphereWire_principles}), which should result from combining of negative permittivity and permeability. Thanks to high localization of the electric field inside the sphere, negative refraction is predicted even when the spheres are embedded in homogeneous $\epsrl <0$ medium. Note this is in contrast with the split-ring resonators, where $\epsrl <0$ medium disrupts their magnetic resonance \cite{jelinek2009artificial}
The issues in our case were mostly of geometrical and mechanical origin. Although it was possible to manufacture a sieve with proper size of holes which would hold microspheres during sieving, the spheres randomly fell out of it upon manipulation. We decided not to use any glue, since even a relatively thin layer thereof would substantially alter the spectra, increasing losses in the terahertz range.
An experiment involving a similar sample was published previously \cite{yakiyama2012terahertz}, with TiO$_{2}$ spheres sprinkled over a commercial mesh woven of steel wire, as sketched and accurately measured in Fig. \ref{fg_spherewire_sketch}b,d. The original publication reported very low transmittance, with inconclusive results as regards to the negative phase advance through the structure. The published structure was asymmetric, with the sphere displaced by $\Delta z \sim 15$ $\upmu$m along the wave propagation direction, and accordingly, the simulations processed with the scattering-parameter method yielded unphysical values of effective parameters.
% todo add some links to Zhao etc.?
%}}}
% SKIP \begin{figure}[h] \caption{Current-driven homogenisation results for TiO$_2$ spheres %{{{
% \textbf{(a)} without wires and \textbf{(b)} embedded in a wire mesh.} \label{fg_cdh3} \centering
% \begin{overpic}[width=.48\textwidth]{img-cdh/cdh_SpheresTiO2.pdf} \put(1,96) {\textbf{(a)}} \end{overpic}
% \begin{overpic}[width=.48\textwidth]{img-cdh/cdh_SpheresLossLess.pdf} \put(1,96) {\textbf{(b)}} \end{overpic}
% \end{figure}
%
% %}}}
% SKIP \paragraph{Tunable dielectric resonators} %{{{
% todo "At low temperatures, ε approaches a limiting value of 257 in the c direction and 111 in the a direction. ε300°K=170 and 86, respectively, and ε1000°K=97 and 58. " -- Parker R. A. Static dielectric constant of rutile (TiO2), 1.6-1060 K
% %TODO Note that the effect of mm-phc transition can be also observed in silicon microcubes (thz operation)
% %Planar all-silicon metamaterial for terahertz applications \cite{prosvirnin2015planar}
%
% %}}}
\FloatBarrier %====================================================================================================
%}}} /section
\section{Dielectric rods parallel to the magnetic field} % TODO review%{{{
\paragraph{Resonances in a low-permittivity array} \label{sect_diel_rods_mag} %{{{
Dielectric rods aligned parallel to the magnetic field exhibit spectra similar to the sphere arrays (see Fig. \ref{fg_rodsphere_comparison}), with clearly identifiable Mie resonances with magnetic and electric dipoles.
Unlike sphere arrays, the computation of the rod array behaviour under near-perpendicular incidence is a two-dimensional problem.
Photonic crystals composed of dielectric rods in a square lattice have been examined thoroughly since the early 1990s \cite{plihal1991two, pendry1992_transfer_matrix}. For structures intended to operate at optical or near-infrared frequencies, the permittivity of the constituent materials was usually relatively low, typically up to the permittivity of silicon $\epsrl \leq 12$. .
In the left panel of Fig. \ref{fg_rodh}, the low permittivity in the structure causes its low-frequency behaviour to be similar to the one-dimensional photonic crystal. At the lower edge of the Bragg band gap ($X1$ subplot of \ref{fg_rodh}a), the electromagnetic wave concentrates the electric field in the layer of dielectric rods, as indicated by tiny arrows. The magnetic field energy is roughly complementary, located predominantly in the air between them. As already described on the example of 1-D PhC, at the upper edge of the band the situation is opposite, with most of the magnetic-field energy localized around the dielectric. The number of nodal planes of the electric or magnetic field does not change between the lower and upper edges of a Bragg band gap.
%}}}
\paragraph{Resonances in the high-permittivity array} %{{{
In the microwave and terahertz ranges, the permittivity of many materials turns out to be much higher than 12. This fact gives rise to the main difference between the panels in Fig. \ref{fg_rodh}. In the right panel, the dielectric permittivity $\epsrl=100$ moves the first Mie resonance \cite{obrien2002photonic} in the first band gap.
This band gap starts in the $X1$ point, where each unit cell is divided by one nodal plane of the magnetic field. In contrast, the next photonic band starts in the $\Gamma2$ point where no such nodal plane exists. This corresponds to a drop in the real part of effective index of refraction, a behaviour that is typical for all individual resonances.
%\textit{magnetic Mie resonance}\index{magnetic Mie resonance}, \cite{obrien2002photonic, nemec2009tunable, yahiaoui2009broadband, yahiaoui2011tunable}
%}}}
\begin{figure}[ht] %{{{ fg_rodh
\caption[Dispersion curves for an array of dielectric rods parallel to the magnetic field (PWEM results)]{Dispersion curves for an array of dielectric rods parallel to the magnetic field. The side plots show the shapes of the fields in the $(x,z)$ plane, at the frequencies of the band edges. The magnetic field is plotted as orange-violet color map and the electric field is represented by vectors. The rod radius was chosen to 12 \% of the period. \textbf{(a)} On the left, a relatively low permittivity $\epsrl = 12$ places the magnetic resonance above the first Bragg band gap. \textbf{(b)} For high permittivity dielectric $\epsrl = 100$, the magnetic resonance forms the first band gap. } \label{fg_rodh} \centering
\begin{overpic}[width=.48\textwidth]{img/HRods_eps012_R12_PWEM.pdf}\put(1,96) {\textbf{(a)}}
\put(0,1){\includegraphics[width=.12\textwidth]{img/tripletKHE.pdf}}
\end{overpic}
\begin{overpic}[width=.48\textwidth]{img/HRods_eps100_R12_PWEM.pdf}\put(1,96) {\textbf{(b)}} \end{overpic}
\end{figure}
%}}}
%SKIP \begin{figure}[ht] \caption{Effective parameters of an array of dielectric rods $||\mathbf H$ with same parameters as in Fig. \ref{fg_rodh}b (i.e. radius of 12 \% of the period and permittivity $\varepsilon = 100$). Complex reflectance $r$ and transmittance $t$ spectra allow to compute the effective index of refraction, impedance (not shown), permittivity and permeability. Thin black lines indicate the Brillouin zone boundaries.}%{{{
%\label{fg_rodh_fdtd} \centering
%\includegraphics[width=8cm]{img/old/HRods_eps100_radiusscan.pdf}
%\includegraphics[width=4.5cm]{img/HRods_sketch.pdf}
%\end{figure}
%}}}
\begin{figure}[ht] %{{{ rodsphere_comparison
\caption[Dielectric rods parallel to the magnetic field and spheres $|r|$ and $Neff$ (retrieved by the s-parameter method)]{Comparison of \textbf{(a)} transmittance and \textbf{(b)} effective index of refraction $\Neff$ for arrays of dielectric spheres (with radius $\rho_s=30$ $\mu$m) and of dielectric rods (with radius $\rho_r=19$ $\mu$m) in a 100$\mu$m unit cell, both made of TiO$_2$. The choice of radii used ensures the same volume filling fraction. } \label{fg_rodsphere_comparison} \centering \vspace{-3mm}
\begin{tabular}{r}
\begin{overpic}[width=0.95\textwidth]{img-meep/rodsphere_comparison_t.pdf} \put (-1,27) {\textbf{(a)}} \end{overpic}\vspace{-0.060\textwidth}\\
\begin{overpic}[width=0.96\textwidth]{img-meep/rodsphere_comparison_n.pdf} \put (-1,27) {\textbf{(b)}} \end{overpic}\vspace{-0.060\textwidth}\\
\end{tabular}
\end{figure}
%}}}
%\begin{figure}[ht] \caption{The spectra of the wavenumber $K$ for different rod radii and two different rod permittivities. The wavenumber plot is folded so it ranges from 0 to 0.5, where $K\approx 0$ and $K\approx 0.5$ correspond to band gaps. \textbf{(a)} Medium-permittivity rods with $\varepsilon = 12$, \textbf{(b)} high-permittivity rods with $\varepsilon = 100$. } \label{fg_hbar_radiusscan} \centering %{{{
%\textbf{(a)}\includegraphics[width=8cm]{img/old/HRods_eps012_radiusscan.pdf}
%\textbf{(b)}\includegraphics[width=8cm]{img/old/HRods_eps100_radiusscan.pdf}
%\end{figure}
%}}}
\FloatBarrier %====================================================================================================
%}}}
\section{Dielectric rods parallel to the electric field} \label{sect_diel_rods_el} %{{{
\paragraph{Sparse rod array} %{{{
The discussion of the previous structure has proven that the choice of permittivity and geometry obviously leads to a qualitative change in the structure behaviour. Similar changes are also observed for dielectric rods parallel to the electric field.
Fig. \ref{fg_erods_acomparison} compares the spectra of effective parameters for three rod arrays of equal radius $\rho=10$ $\upmu$m and dielectric permittivity $\epsrl(f=1\text{ THz}) = 89.5+0.23\ii$. The latter was chosen to be close to that of porous polycrystalline rutile, but the losses were artificially reduced for better readability of the spectral features. The three structures differ only by the unit cell size $a \in \{80, 90, 120\}$ $\upmu$m. % , yet such a structure obviously behaves in several different ways depending on $a$. Moreover, the differences are not obvious if PWEM results are plotted, as was the case in Fig. \ref{fg_rodh}.
% TODO refereence also to \cite{valdivia2012} and \cite{shi2007}
%low-loss dielectrics discussed in http://www.nature.com/nnano/journal/v11/n1/full/nnano.2015.304.html??
%\cite{yang2015}
Starting with the blue curves in Fig. \ref{fg_erods_acomparison} representing a sparse array with $a=12\rho = 120$ $\upmu$m, one can identify two points of near-zero transmittance around 745 and 1170~GHz with two individual resonances. Each of them introduces a familiar shape in the spectrum of $\Neff(f)$. From the effective permittivity $\eeff(f)$ and permeability $\meff(f)$, the first resonance can be identified as an electric one, and the second as a magnetic one. The electric resonance has a strong dipole moment and introduces a broader band gap than any of the resonances shown in Fig. \ref{fg_rodsphere_comparison}. At frequencies close to the upper edge of the band gap, the dielectric structure behaves in a similar way to the wire array and plasma; this effect has been proposed to introduce negative permittivity in one all-dielectric metamaterial design \cite{jelinek2009artificial}. %; the fundamental asymmetry arises from the fact that the spheres and rods are made of a dielectric that primarily interacts with the electric field, while its permeability $\murl=1$.
In spite of the strength of the first resonance, the corresponding region of $\eeff'(f)<0$ does not overlap with that of $\meff'(f)<0$ and no negative index of refraction is obtained for the sparse rod array with $a=120$ $\upmu$m. The resulting spectra of all parameters are qualitatively similar to that of the electro-magnetic resonator with the capacitor radius $\rho_c\gtrsim 18$ $\upmu$m (cf. Figs. \ref{fg_emSRR_icr} and \ref{fg_cdh2}b).
%}}}
\begin{figure}[h!] %{{{ erods_acomparison
\caption[Dielectric rods parallel to the electric field $|r|$, $|t|$, $\Neff$, $\eeff$ and $\meff$ (retrieved by the s-parameter method)]{Amplitude of \textbf{(a)} reflectance, \textbf{(b)} transmittance \textbf{(c)} effective index of refraction $\Neff$, \textbf{(d)} effective permittivity $\eeff = \eeff'+\ii\eeff''$ and \textbf{(e)} effective permeability $\meff = \meff'+\ii\meff''$ for a rod array of realistic TiO$_{2}$ dielectric model with constant radius $\rho = 10$ $\mu$m and grid resolution of 1 $\mu$m. Similar to other plots, the real part is plotted solid, the imaginary one dashed. } \label{fg_erods_acomparison} \centering \vspace{-3mm}
%% NOTE: if realistic materials are needed, erods_acomparison-loLoss_r.pdf can be substituted for erods_acomparison_r.pdf etc.
\begin{tabular}{r}
\begin{overpic}[width=0.85\textwidth]{img-meep/erods_acomparison-loLoss_r.pdf} \put (-1,28) {\textbf{(a)}} \end{overpic}\vspace{-0.060\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/erods_acomparison-loLoss_t.pdf} \put (-1,28) {\textbf{(b)}} \end{overpic}\vspace{-0.058\textwidth}\\
\begin{overpic}[width=0.85\textwidth]{img-meep/erods_acomparison-loLoss_n.pdf} \put (-1,28) {\textbf{(c)}} \end{overpic}\vspace{-0.055\textwidth}\\
\begin{overpic}[width=0.86\textwidth]{img-meep/erods_acomparison-loLoss_eps.pdf} \put (-1,28) {\textbf{(d)}} \end{overpic}\vspace{-0.055\textwidth}\\
\begin{overpic}[width=0.86\textwidth]{img-meep/erods_acomparison-loLoss_mu.pdf} \put (-1,28) {\textbf{(e)}} \end{overpic}\vspace{-0.030\textwidth}\\
\end{tabular}
\end{figure}
%}}}
\paragraph{Effect of inter-cell coupling}%{{{
By increasing the filling fraction of the dielectric rod, the electric and magnetic resonances can be efficiently tuned upwards and downwards in the frequency, respectively. The reason can be deduced from the symmetry of the magnetic field shapes for $\KK\sim 0$.
The electric resonance (Fig. \ref{fg_sketchfield}a), with the electric field pointing parallel to the rod, and the magnetic field circulating around it, introduce opposite orientation of the magnetic field at the cell boundaries. A reduction of the cell size $a$ also reduces the effective inductance of the rod per unit length, thus shifting the electric resonance to a higher frequency.
On the contrary, the magnetic field surrounding the rod near at the magnetic Mie resonance (Fig. \ref{fg_sketchfield}b) is oriented parallel with the field of the neighbouring cell. Thus the reduction of $a$ decreases the frequency of the magnetic resonance.
Note that this strong coupling is specific for this particular rod orientation. In the previous chapter we discussed similar high-permittivity rods oriented parallel to the magnetic field. In the first resonance, the electric field also circulated around the rod axis, but the majority of its energy was confined to the dielectric volume (cf. Fig. \ref{fg_rodh}b-$\text{X}1$). The inter-cell coupling of the magnetic resonance was thus much weaker, and similar argument applied also to higher resonances. As a result, the resonant frequencies of dielectric rods parallel to the \textit{magnetic} field cannot be efficiently tuned against each other.
%}}}
\begin{figure} %fg_sketchfield%{{{
\caption[Drawings of the field shapes]{Cross-sections of first two resonant modes in the dielectric rod. The red and blue colours show positive and negative values of the electric field, while the magnetic field is represented by the arrows. \textbf{(a)} The electric Mie resonance, \textbf{(b)} the magnetic Mie resonance.} \label{fg_sketchfield} \centering
\begin{overpic}[width=.8\textwidth]{img/ERods_1st_and_2nd_Mie_resonance.pdf} \put(10,29.2) {\textbf{(a)}} \put(45,29.2) {\textbf{(b)}}
\put(85,8){\includegraphics[width=.12\textwidth]{img/tripletKEH.pdf}}
\end{overpic}
\end{figure}
%}}}
\begin{figure}[ht] %{{{fg_erod_radius11 PWEM TODO
\caption{Behaviour of the rods $||\mathbf E$, with permittivity $\varepsilon = 100$ and radius $r=11\;\upmu$m.} \label{fg_erod_radius11} \centering
\begin{overpic}[width=.48\textwidth]{img/ERods_eps100_R11_PWEM.pdf}\put(1,96) {\textbf{(a)}}
\put(0,1){\includegraphics[width=.12\textwidth]{img/tripletKEH.pdf}}
\end{overpic}
% \begin{figure} \caption{img/ERods\_eps100\_single\_a120\_FDTD.pdf} \centering \includegraphics[width=10cm]{img/ERods_eps100_single_a120_FDTD.pdf} \end{figure}
% \begin{figure} \caption{img/ERods\_eps100\_triple\_a150a100a080\_FDTD.pdf} \centering \includegraphics[width=10cm]{img/ERods_eps100_triple_a150a100a080_FDTD.pdf} \end{figure}
% \begin{figure} \caption{img/ERods\_forSeefeld\_sparserN\_denserN\_DrawnBands.pdf} \centering \includegraphics[width=10cm]{img/ERods_forSeefeld_sparserN_denserN_DrawnBands.pdf} \end{figure}
\end{figure}
%}}}
\paragraph{Medium-density rod array}%{{{
Through moderate reduction of the unit cell size $a$ to 90 $\upmu$m, as represented by the green line in Fig. \ref{fg_erods_acomparison}, the electric and magnetic resonant frequencies approach each other, shifting to $f_E \approx$ 950 and $f_M \approx$ 1070~GHz, respectively. This eventually leads to an overlap of the $\eeff'(f)<0$ and $\meff'(f)<0$ regions, and a negative-index band is formed between 1130 and 1200~GHz.
At the upper-frequency edge of the band with $\Neff'<0$, either the effective permeability or permittivity becomes positive, for $a\lesssim 92$ $\upmu$m or $a\gtrsim 92$ $\upmu$m, respectively. This is another subtle, but qualitative change in the structure behaviour.
%It manifests itself in the mode shapes resolved by PWEM, and the effective impedance $\Zeff=\sqrt{\meff/\eeff}$ reaching either very low or very high values at the band edge.
At the exact parameter $a$ for the cross-over, the effective permittivity and permeability change their sign at the same frequency, and a \textit{zero-width band gap}\index{zero-width band gap} is obtained. Unlike the Fabry-Pérot resonances in 1-D PhC, this band gap is located at $\Neff'=0$, which results in a peculiar regime of operation -- in the idealized loss-less model, the wave would not exponentially decay nor would acquire any phase advance in the metamaterial volume; all unit cells would oscillate in phase. Still, its group velocity would be nonzero, and any spatial modulation of the wave envelope would propagate through the cells. This can be viewed as a complementary phenomenon to the extremely narrow photonic bands where, due to the vanishing inter-cell coupling, the phase velocity is orders of magnitude higher than the group velocity (cf. the second band in Fig. \ref{fg_cdh2}b).
Both points of near-zero transmittance at $f_E$ and $f_M$, indicating individual resonances, come closer to each other with further reduction of $a$. The maximum amplitude of transmittance $|t|$ between both resonances decreases approximately with the second power of the frequency difference:
\begin{equation} \underset{f \in\,\langle f_E,f_M\rangle}{\text{max}} |t| \propto \frac{1}{(f_E-f_M)^{2}}, \label{eq_fEfM}\end{equation}
hence the transmitted spectral intensity drops with the fourth power of the difference of the resonant frequencies, $(f_E-f_M)^4$, and can maintain very low values over this spectral region. Simultaneously, the transmittance rapidly grows above $f_M$ and reaches almost 100 \% relatively close to this low-transmittance region.
We proposed \cite{dominec2014transition} that with the aforementioned geometry, a single layer of unit cells could find its application as a \textit{dielectric-rod array filter}\index{dielectric-rod array filter}. It would possess a better extinction ratio, and a better-defined stop-band than a dielectric slab of similar material can achieve through Fabry-Pérot resonances.
% (see Fig. \ref{fg_Slab_fillfraction015_epsilon_comparison})
%}}}
\begin{figure}[htb] %{{{ fg_spacingscan100
\caption{\textbf{(a)} Reflectance, \textbf{(b)} transmittance, \textbf{(c)} the real and \textbf{(d)} the imaginary part of the retrieved refractive index of an array of dielectric rods made of TiO$_{2}$, with a constant radius $\rho = 10$ $\upmu$m and a variable unit cell size $20\:\mu$m $<a<200\:\mu$m. Three selected values of radius, discussed in the text, are marked by horizontal black dash-dotted lines.} \label{fg_spacingscan100} \centering
\begin{overpic}[width=0.48\textwidth]{img-meep/erods_ascan-loLoss_r.pdf}\put(-1,80){\textbf{(a)}}\end{overpic}
\begin{overpic}[width=0.48\textwidth]{img-meep/erods_ascan-loLoss_t.pdf}\put(-1,80){\textbf{(b)}}\end{overpic}\\
\begin{overpic}[width=0.48\textwidth]{img-meep/erods_ascan-loLoss_nr.pdf}\put(-1,80){\textbf{(c)}}\end{overpic}
\begin{overpic}[width=0.48\textwidth]{img-meep/erods_ascan-loLoss_ni.pdf}\put(-1,80){\textbf{(d)}}\end{overpic}
\end{figure}
%}}}
\paragraph{Dense rod array} %{{{
Further reduction of the unit cell size $a$ to 80 $\upmu$m does not lead to a cross-over of the resonant frequencies, as might be expected. Instead, the individual resonances disappear and an ordinary Bragg band gap remains, spanning from 480 to 1150~GHz. The corresponding transmittance curve (plotted in red in Fig. \ref{fg_erods_acomparison}b) does not touch zero anywhere in the spectrum.
Consequently, there is no individual resonance, nor any fast drop in the spectrum of $\Neff'(f)$ (see Fig. \ref{fg_erods_acomparison}c). The effective index of refraction $\Neff'$ maintains high values over the whole spectrum, which precludes to describe the structure by means of local effective parameters of permittivity and permeability anywhere above the middle of the first photonic band.
This kind of behaviour was already encountered in the spectra of one-dimensional photonic crystal (Figs. \ref{fg_Slab_fillfraction015_epsilon_comparison}, \ref{fg_Slab_fillfraction015_epsilon_comparison}).
However, the effective index of refraction $\Neff(f)$ is still valid, and its spectrum for $a=80$ $\upmu$m approximately maintains the shape that $\Neff'$ had for $a=90$ $\upmu$m and even $a=120$ $\upmu$m. Most notably, the negative-index band around 1200~GHz (spanning between the -1th and the 0th Brillouin-zone boundaries) on the green curve has its analogy in a similarly narrow band on the red curve (between the 1th to the 2nd Brillouin-zone boundaries). Also the higher frequency features tend to be similar. This suggests that the only change between $a=90$ $\upmu$m and $a=80$ $\upmu$m that can be observed without an inspection of the internal fields is in the \textit{phase} that the wave acquires per one unit cell.
%}}}
\begin{figure}%{{{ fg_drawn100
\begin{minipage}[c]{0.48\textwidth}
\hfill
\begin{overpic}[width=\textwidth]{img/erods-ascan_drawn.pdf}
\put(102,2){\includegraphics[width=.8\textwidth]{img/erods-ascan_legend.pdf}}
\end{overpic}
\end{minipage}
\begin{minipage}[c]{0.5\textwidth}
\caption{Scheme of band gaps and Mie resonances under the same conditions as in Fig.~\ref{fg_spacingscan100}.
In the upper-right corner of the plots, for $a>c/f$, an empty area is left where the diffraction precludes determination of effective parameters.\\
The colours and numbering from 1 to 6 denote the band gaps. Mie resonances are outlined by thick black curves. A small black patch close to the center of the figure depicts the conditions of negative index of refraction. \vspace{18mm} } \label{fg_drawn100}
\end{minipage}
\end{figure}
%}}}
\paragraph{Continuous scan through the unit cell sizes}%{{{
For illustration, we add a high-resolution continuous scan through the unit cell size $a$ in Fig. \ref{fg_spacingscan100}, with other parameters shared with the previous plots in Fig. \ref{fg_erods_acomparison}. The individual Mie resonances can be identified as the sets of points where transmittance $|t|$ comes close to zero, real part of effective index of refraction $\Neff'$ drops and its imaginary part $\Neff''$ has a sharp peak. The photonic band gaps are all areas where $\Neff'' \not\approx 0$ in Fig. \ref{fg_spacingscan100}d.
For easier interpretation, the interplay of the individual resonances and the band gaps is redrawn in Fig. \ref{fg_drawn100}, where each photonic band gap is represented as a coloured area and the individual resonances as thick black lines. The small black patch between the first and second band gaps covers all $(a,f)$ combinations necessary for reaching $\Neff'<0$, provided that the dielectric is titanium dioxide with permittivity $\epsrl \approx 92$.
In accordance with the previous discussion, the electric and magnetic Mie resonances approach each other when the unit cell size $a$ decreases from 120 to 90 $\upmu$m, and eventually they meet and vanish for $a \lesssim 85$ $\upmu$m, forming an "U"-shaped curve. Using $a$ as the scanning parameter enables to illustrate clearly the shift of individual resonances. With this choice, the frequencies of the band gaps roughly follow the $1/a$ curves, but they are strongly influenced by the individual resonances. Each individual resonance is always contained inside a band gap.
In photonic bands, the real part of refractive index grows as a function of frequency; from the beginning to the end of each photonic band, it gains a difference of one Brillouin zone. The only way how $\Neff'$ can descend by one Brillouin-zone boundary is by means of an individual resonance. A simple arithmetic condition for reaching negative index of refraction $\Neff'(f_1)<0$, at a given frequency $f_1$, is therefore that the number of photonic band gaps counted from $f=0$ to $f_1$ must be strictly less than the number of individual resonances.
This simple rule eliminates the possibility of obtaining $\Neff'<0$ from any higher-order Mie resonances, although from Figs. \ref{fg_spacingscan100} and \ref{fg_drawn100} it can be seen that these persist even for smaller unit cell sizes than $a=85$ $\upmu$
The author further conjectures that the presence of two Mie resonances in the \textit{first} band gap in the spectrum is a necessary and sufficient condition for $\Neff'<0$ to occur in any known metamaterial that can be described by local parameters.
%}}}
\begin{figure}[t] % fg_fxplot %{{{
\begin{minipage}[c]{0.51\textwidth}
\hspace{-2mm}\begin{overpic}[width=.99\textwidth]{img-meep/erods_fxplot_cs120e-6.pdf}
\put(140,3){\includegraphics[width=.63\textwidth]{img/ERods_sketch_recordedline.pdf}}
\put(7,90) {\textbf{(a)}}
\end{overpic}\\
\end{minipage}
\begin{minipage}[c]{0.49\textwidth}
\caption{Spatially resolved spectra of the electric field $|E_x(z, f)|$ for the unit cell sizes \textbf{(a)} $a=120$ $\upmu$m, \textbf{(b)} $a=90$ $\upmu$m and \textbf{(c)} $a=80$ $\upmu$m.
Dark blue represents the lowest field magnitude and white the highest one, logarithmic color map of the field amplitude is used.\\For easier comparison, the effective index of refraction was added below each plot of the fields, with a shared frequency axis. }\vspace{3cm} \label{fg_fxplot}
\end{minipage}
%\vspace{-12mm}
%\end{figure}
%\begin{figure}[h!]
\hspace{-2mm}\begin{overpic}[width=.51\textwidth]{img-meep/erods_fxplot_cs90e-6.pdf}
\put(7,90) {\textbf{(b)}}
\end{overpic}
\hspace{-1mm}\begin{overpic}[width=.51\textwidth]{img-meep/erods_fxplot_cs80e-6.pdf}
\put(7,90) {\textbf{(c)}}
\end{overpic}
\end{figure}
%}}}
\paragraph{Inspection of the frequency-dependent shape of the field}%{{{
While the PWEM plot gives all information about the field shapes at the band edges (Fig. \ref{fg_erod_radius11}), it does not tell anything for frequencies lying in the band gap. Inspection the fields within a band gap is needed to explain the physical reason behind the peculiar disappearance of Mie resonances. It requires a new kind of plots based on time-domain simulations which show how the electric field amplitude depends simultaneously on the position on the $z$-axis, along which the wave propagates, and on the frequency.
%, since the wave amplitude decays exponentially and the field is not eigenfunction of the
A structure of dielectric rods arranged in three layers was used as a sample sufficiently thick to illustrate the behaviour of the field in the metamaterial cells. Since the above discussion is based on the phase advance of the wave across a cell, it is sufficient to observe the fields at the central line between the rods only, as drawn in the inset drawing in Fig. \ref{fg_fxplot}.
During the simulation, the electric field amplitude was stored in each FDTD step and for each point along the line.
At the end of the simulation, the Fourier transform of the recorded field was computed in each point and the magnitude of the temporal spectra $|E_x(z, f)|$ was plotted in Figs. \ref{fg_fxplot}a,b,c. To the author's knowledge, such kind of plots has not been published in any paper yet.
In Fig. \ref{fg_fxplot}a, the case of sparse rods clearly illustrates that beginning from the lower edge of the first band gap, at 0.42 THz, up to the electric resonance at 0.745~THz, one nodal plane per unit cell crosses the line where field is recorded. The nodal plane can be identified as sets of points where the field intensity drops to very low values, and it introduces a $+\pi$ shift of the field phase between adjacent cells.
Unfortunately, the field pattern close to the resonant frequency is hard to interpret due to boundary effects on the finite structure, but above the resonance one can clearly see that no nodal planes are present. This is in accordance with the predicted exponential decay of evanescent waves when $\Neff' = 0$ and $\Neff'' < 0$. The electric dipole of the rods is opposite to the surrounding field in this region, but the nodal planes form closed surfaces around each rod, and the phase difference recorded along the line between the unit cells is zero. From 970~GHz onwards, the second photonic band starts which allows the electromagnetic energy propagate through the structure.
In the second case of the medium-density rod array (Fig. \ref{fg_fxplot}b), both resonances are located in the first band gap. At the frequency of the first resonance, one nodal plane per each unit cell is removed and the phase advance across the unit cell is reduced from $+\pi$ to $0$. The second resonance further reduces this phase difference, from $0$ to $-\pi$, which introduces one nodal plane per unit cell again. Accordingly, faint nodal planes can be observed again in the first band gap between 1100 and 1150~GHz.
Finally, upon reduction of the unit cell size to $80$ $\upmu$m (Fig. \ref{fg_fxplot}c), the number of nodal planes becomes a constant over the whole band gap, with one nodal plane dividing each unit cell.
%}}}
\paragraph{The cause of the Mie resonances vanishing}%{{{
Fig. \ref{fg_fxplot} shows that the disappearance of Mie resonances for $a\lesssim 85$ $\upmu$m is caused by a change in the nodal surface topology. When the rods are far from each other ($a\gtrsim 85$~$\upmu$m), the individual Mie resonances create closed regions dominated by the near field of the resonance, which are delimited by roughly elliptical nodal surface. Thus in Fig. \ref{fg_fxplot}b, between 930 and 1100~GHz, %% todo verify freqs
no nodal plane is intersected by the line where the electric field is recorded.
Upon reducing the unit-cell size ($a\lesssim 85$~$\upmu$m) at the same frequency, the regions of opposite fields start to overlap with those from the neighbouring cells and the nodal surfaces interconnect with each other. The wave propagating through an unit cell then changes its sign twice. This manifests itself as a $2\pi$ phase change compared to the $a=90$ $\upmu$m case, and by a qualitative change of the $\Neff'$ spectrum towards a shape typical for one-dimensional photonic crystals.
% The Kramers-Kronig relations require that for any structure studied, $\Neff'(f)$ [or, equivalently, $k(f)$] attains and finally crosses the Brillouin-zone boundaries when the frequency is sufficiently increased. While usually the convention is used that the corresponding curves are folded back into the first Brillouin zone, in this paper we plot $\Neff'(f)$ in the original (unfolded) Brillouin zones resulting from the retrieval algorithm. This can be clearly observed on the dispersion of the refractive index in Fig.\ \ref{fg_spec}. In this way we retain the information about the number of the nodal planes intersecting the unit cell, which is important for our discussion.
% todo \cite{peng2007, vynck2009all}
%todo discuss from short.pdf: "...confirmed by the FDTD results and by their compliance to Kramers-Kronig relations. To illustrate this, the Hilbert transform of the refractive index is plotted as the thin pink line and it nearly perfectly follows the green curve over the whole spectrum, except for an additive constant. There is only one acceptable physical solution that is compatible with the Kramers-Kronig relations."
%}}}
\begin{figure}%{{{ fg_drawn50_12
\begin{minipage}[c]{0.48\textwidth}
\hfill
\begin{overpic}[width=\textwidth]{img/erods-ascan_eps50_drawn.pdf}\put(-1,80){\textbf{(a)}}\end{overpic} % todo
\begin{overpic}[width=\textwidth]{img/erods-ascan_eps12_drawn.pdf}\put(-1,80){\textbf{(b)}}\end{overpic} % todo
\end{minipage}
\begin{minipage}[c]{0.5\textwidth}
\caption{
Scheme of band gaps and Mie resonances similar to Fig. \ref{fg_drawn100}, but for \textbf{(a)} halved dielectric permittivity $\epsrl = 50$ and \textbf{(b)} further reduced permittivity to that of silicon $\epsrl = 12$. \\
The Mie resonances shift to higher frequencies relative to the band gaps and no $\Neff'<0$ region is formed for any unit cell size. % todo add description
} \label{fg_drawn50_12}
\end{minipage}
\end{figure}
%}}}
\paragraph{Lower dielectric permittivity}%{{{
Both individual Mie resonances and Bragg-type band gaps depend on the dielectric permittivity $\epsrl$. However, the frequency of Mie resonances are more sensitive, and consequently the critical point where the first and second Mie resonances merge shifts to the upper edge of the first gap (see Fig. \ref{fg_drawn50_12}a) when $\epsrl$ is reduced from that of porous titanium dioxide in the terahertz range ($\epsrl = 92$) to a lower value $\epsrl = 50$.
As a result, the negative-index band then cannot be found for any unit cell size. Thus, the dielectric permittivity contrast of at least 50 appears to be essential for obtaining a negative refractive index from any dielectric metamaterial.
Construction of an optical or near-infrared metamaterial restricts the choice of dielectric permittivity compared to the terahertz range.
The permittivity of silicon, $\epsrl \approx 12$, is one of the highest available in the near infrared range. The band structure corresponding to $\epsrl=12$ in Fig. \ref{fg_drawn50_12}b shows that for any unit cell size, the first Mie resonance in silicon rod array would always be preceded by at least one band gap of the Bragg type.
The above discussion also shows that the dielectric rods do not have to be geometrically touching to start behaving like a dielectric slab in a 1-D PhC. This is in line with the observation that the scattering cross-section of sub-wavelength objects tends to be greater than their geometrical extent.
Strong enough near-field interaction is sufficient for a topological change of nodal planes. The exact critical ratio of the radius to the unit cell size $\rho/a$ depends on the dielectric permittivity. In the array of rods parallel to the electric field, this qualitative change occurs for a particularly low filling fraction, but it should occur in other kinds of structures as well, provided their unit cells are small enough to promote strong near-field interactions between neighbouring resonant elements.
%}}}
\paragraph{Rod-array metamaterials in the literature} %{{{