Square lattice example

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Marek Nečada 2020-03-16 16:02:49 +02:00
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@ -112,17 +112,6 @@ Finally, we present some results obtained with the QPMS suite as well as
examples
\family default
directory of the QPMS source repository.
The benchmarks require SCUFF-EM of version xxx
\begin_inset Marginal
status open
\begin_layout Plain Layout
Add the version when possible.
\end_layout
\end_inset
or newer.
\end_layout
\begin_layout Subsection
@ -314,12 +303,251 @@ Next, we study the eigenmode problem of the same rectangular arrays.
\end_layout
\begin_layout Subsubsection
lMax vs radius
Effects of multipole cutoff
\end_layout
\begin_layout Standard
square lattice of spherical particles at gamma point, modes as a function
of particle radius for several different lMaxes.
In order to demonstrate some of the consequences of multipole cutoff, we
consider a square lattice with periodicity
\begin_inset Formula $p_{x}=p_{y}=580\,\mathrm{nm}$
\end_inset
filled with spherical golden nanoparticles (with Drude-Lorentz model for
permittivity; one sphere per unit cell) embedded in a medium with a constant
refractive index
\begin_inset Formula $n=1.52$
\end_inset
.
We vary the multipole cutoff
\begin_inset Formula $l_{\max}=1,\dots,5$
\end_inset
and the particle radius
\begin_inset Formula $r=50\,\mathrm{nm},\dots,300\,\mathrm{nm}$
\end_inset
(note that right end of this interval is unphysical, as the spheres touch
at
\begin_inset Formula $r=290\,\mathrm{nm}$
\end_inset
) We look at the lattice modes at the
\begin_inset Formula $\Gamma$
\end_inset
point right below the diffracted order crossing at 1.406 eV using Beyn's
algorithm; the integration contour for Beyn's algorithm being a circle
with centre at
\begin_inset Formula $\omega=\left(1.335+0i\right)\mathrm{eV}/\hbar$
\end_inset
and radius
\begin_inset Formula $70.3\,\mathrm{meV}/\hbar$
\end_inset
, and 410 sample points.
We classify each of the found modes as one of the ten irreducible representatio
ns of the corresponding little group at the
\begin_inset Formula $\Gamma$
\end_inset
point,
\begin_inset Formula $D_{4h}$
\end_inset
.
\end_layout
\begin_layout Standard
The real and imaginary parts of the obtained mode frequencies are shown
in Fig.
\begin_inset CommandInset ref
LatexCommand ref
reference "square lattice var lMax, r at gamma point Au"
plural "false"
caps "false"
noprefix "false"
\end_inset
.
The most obvious (and expected) effect of the cutoff is the reduction of
the number of modes found: the case
\begin_inset Formula $l_{\max}=1$
\end_inset
(dipole-dipole approximation) contains only the modes with nontrivial dipole
excitations (
\begin_inset Formula $x,y$
\end_inset
dipoles in
\begin_inset Formula $\mathrm{E}'$
\end_inset
and
\begin_inset Formula $z$
\end_inset
dipole in
\begin_inset Formula $\mathrm{A_{2}''})$
\end_inset
.
For relatively small particle sizes, the main effect of increasing
\begin_inset Formula $l_{\max}$
\end_inset
is making the higher multipolar modes accessible at all.
As the particle radius increases, there start to appear more non-negligible
elements in the
\begin_inset Formula $T$
\end_inset
-matrix, and the cutoff then affects the mode frequencies as well.
\end_layout
\begin_layout Standard
Another effect related to mode finding is, that increasing
\begin_inset Formula $l_{\max}$
\end_inset
leads to overall decrease of the lowest singular values of the mode problem
matrix
\begin_inset Formula $M\left(\omega,\vect k\right)$
\end_inset
, so that they are very close to zero for a large frequency area, making
it harder to determine the exact roots of the mode equation
\begin_inset CommandInset ref
LatexCommand eqref
reference "eq:lattice mode equation"
plural "false"
caps "false"
noprefix "false"
\end_inset
, which might lead to some spurious results: Fig.
\begin_inset CommandInset ref
LatexCommand ref
reference "square lattice var lMax, r at gamma point Au"
plural "false"
caps "false"
noprefix "false"
\end_inset
shows modes with positive imaginary frequencies for
\begin_inset Formula $l_{\max}\ge3$
\end_inset
, which is unphysical (positive imaginary frequency means effective losses
of the medium, which, together with the lossy particles, prevent emergence
of propagating modes).
However, the spurious frequencies can be made disappear by tuning the parameter
s of Beyn's algorithm (namely, stricter residual threshold), but that might
lead to losing legitimate results as well, especially if they are close
to the integration contour.
In such cases, it is often helpful to run Beyn's algorithm several times
with different contours enclosing smaller frequency areas.
\end_layout
\begin_layout Standard
\begin_inset Float figure
placement document
alignment document
wide false
sideways false
status open
\begin_layout Plain Layout
\begin_inset Caption Standard
\begin_layout Plain Layout
\begin_inset Graphics
filename figs/beyn_lMax_cutoff_Au_sphere.pdf
width 100text%
\end_inset
\end_layout
\end_inset
Consequences of multipole degree cutoff: Eigenfrequencies found with Beyn's
algorithm for an infinite square lattice of golden spherical nanoparticles
with varying particle size.
\begin_inset CommandInset label
LatexCommand label
name "square lattice var lMax, r at gamma point Au"
\end_inset
\end_layout
\end_inset
\begin_inset Note Note
status open
\begin_layout Plain Layout
\begin_inset Float figure
placement document
alignment document
wide false
sideways false
status collapsed
\begin_layout Plain Layout
\begin_inset Caption Standard
\begin_layout Plain Layout
\begin_inset Graphics
filename figs/beyn_lMax_cutoff_const_eps_sphere.pdf
width 100text%
\end_inset
\end_layout
\end_inset
\end_layout
\begin_layout Plain Layout
Consequences of multipole degree cutoff: Eigenfrequencies found with Beyn's
algorithm for an infinite square lattice of spherical nanoparticles with
constant relative permittivity
\begin_inset Formula $\epsilon=4.0+0.7i$
\end_inset
and varying particle size.
\begin_inset CommandInset label
LatexCommand label
name "square lattice var lMax, r at gamma point constant epsilon"
\end_inset
\end_layout
\end_inset
\end_layout
\end_inset
\end_layout
\end_body

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