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Simulation of Graphene in CST Microwave v2015 and COMSOL Multiphysics 5.2a

Technical Report · January 2017

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Seyed Mohammadreza Razavizadeh


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Simulation of Graphene in CST Microwave v2015 and COMSOL


Multiphysics 5.2a
Author: Seyed Mohammadreza Razavizadeh

Electronic Model of Graphene1


Fig. 1 depicts an infinite graphene lying in the xy-plane at the interface between two different mediums
generally characterized by µ1 ,ε1 for z≥0 and µ2 ,ε2 for z<0 , respectively.

Graphene can be modeled in two regime of linear and nonlinear regime. Linear model of graphene is
characterized based on Kubo formula. In linear or small signal model, the graphene sheet is modeled as
an infinitesimally-thin metal like, by a 2D tensor surface conductivity of σ=σxax+σyay.
This conductivity is a multi-variable dependent function as below:
((/ ), ( ),  , ) =   +   (1)
Where ω is radian frequency, µC is the chemical potential2[or Fermi level which can be controlled by an
applied electrostatic bias field E0=E0az, or by doping, γ is a phenomenological electron scattering rate
(inverse of the carrier relaxation time of τ) that is assumed to be independent of energy, T is temperature,
and B0=B0az is an applied magnetostatic bias field. Three cases of (1) will be considered.

I) Spatial dispersion, neither electrostatic nor magnetostatic bias (E0=B0=0)

1
G. W. Hanson, "Dyadic Green's Functions for an Anisotropic, Non-Local Model of Biased Graphene," in IEEE
Transactions on Antennas and Propagation, vol. 56, no. 3, pp. 747-757, March 2008.
2
The Fermi level is the total chemical potential for electrons (or electrochemical potential for electrons) and is
usually denoted by µC or EF(https://en.wikipedia.org/wiki/Fermi_level).
Smr.razavizadeh@ieee.org 2017

II) Electrostatic bias, no magnetostatic bias nor spatial dispersion (E0≠0 ,B0=0 ). In this case the
conductivity matrix is diagonal:
 =  =  ( ( ))

 =  = 0

III) Magnetostatic bias, (B0≠0 , and possibly E0≠0). This case refer as the local Hall Effect regime.

Effective permittivity of Graphene3


For the THz frequencies, where the photon energy ℏ ≪  , the interband part of conductivity of
graphene is negligible comparing to the intraband. Therefore, in the THz range graphene is well described
by the Drude-like surface conductivity. For  ≫   the conductivity depends linearly on the Fermi
energy(in some literature the equivalent parameter is electrochemical potential µC)
2( )    1
!"#$%& = +, -2cosh ( )4
*ℏ ) 23   + 67 89
T: Temperature, EF: electrochemical potential (Fermi energy),τ=10-13 s(Relaxation time).
KB=1.3806488e-23 ( m^2 kg s^-2 K^-1); h-bar:(6.62606957e-34)/pi ( eV/s); ε0= 8.85418781762e-12
(F/m); e=1.60217657*10^(-19) (C)

Drude-like Model
For the numerical simulations graphene is usually represented as a layer of material of a small thickness ∆
with an in-plane effective permittivity based on volunemetric conductivity of σv:
<=>?@AB )D E FG H K 9
:"#$%& ≜ = +, J2cosh ()M LH)N OPQRST
∆ ∆IℏE G

The Drude-Lorentz model of material is a very important closed form demonstration of dielectric
materials. When we work with metal the Drude -Lorentz classical model decrease to Drude metal model
which we have no resonance.
 6   /7
U%VD () ≜ ⇒× ⇒ ⇒ U%VD () =
1 − 67 6 7 + 6  + 67 89

3
Andryieuski, A., & Lavrinenko, A. (2013). Graphene metamaterials based tunable terahertz absorber: effective
surface conductivity approach. Optics Express, 21(7), 9144-9155. 10.1364/OE.21.009144.
Smr.razavizadeh@ieee.org 2017

<Z[A /R )D E FG HR ]
:"#$%& = ; \% ≜ +, J2cosh ( ^ )N
OPQR ST ∆IℏE )MG H

For considering the graphene as a very thin metal an equivalent effective permittivity can be defined as
below:

<a>?@AB (O) Q< [A


_D``
\%
() = _ + 6 = _ + O(98QOR)
Z
O

Another representation of graphene is deduced by the classical Drude-Lorentz model of dielectric based
on ωo=0(resonance freq. of carrier) and ωp(Plasma frequency) as the following:
c)
_D`` = _ b1 − e , d = 7 89
( + 6d)
In other words we can say that graphene is represented by a thin metal with the plasma frequency
depending on the Fermi level
9/)
2( )   Eh
c = f +, -2cosh ( )4i
∆*_ ℏ ) 23 
(in matrix demo of graphene the normal component of the effective permittivity is εe f f ,n = 1).

0 ωp= 345.1318 Tera Rad/sec


Real part of εef f
-500
Re(εef f )

-1000

-1500
0 1 2 3 4 5 6
Freq(THz)
4
x 10
4
imaginary part of εef f
3
Im(εeff )

0
0 1 2 3 4 5 6
Freq(THz)
Smr.razavizadeh@ieee.org 2017

Modeling the Graphene in CST Microwave Studio v2015


In this article we will show the correct setting to model Graphene in linear regime. The paper entitled
“Graphene-based nano-patch antenna for terahertz radiation” by Ignacio Llatser and his colleagues has
been used as a credited reference. The verification will be checked based on Extinction factor of a
Graphene slab at normal incident of a plane wave.

The CST introduce two approximate models for graphene, first as a thin metal like with a derived surface
conductivity of σS, secondly Graphene has modeled as a Drude-like material with Re[εr]& Im[εr] which
shown as Graphene & Graphene_Eps, respectively.

After designing the model we define a new parameter of “dgr” as thickness of Graphene slab, which we
should type it in front of the “Graphene_thickness” items as below:
Smr.razavizadeh@ieee.org 2017

Presetting for “Extinction” Report

The distance of the model from the open boundaries are very important for getting the correct results for
this reason we adjust them as below:
Smr.razavizadeh@ieee.org 2017

Plane wave excitation


As shown in the figure 3 of the reference the incident plane wave polarization is Ex.

Frequency Domain Analysis


We recommend that for efficient calculation time and also because of the very small thickness of the
model uncheck the adaptive mesh refinement, as shown in the following figure.
Smr.razavizadeh@ieee.org 2017

Postprocessing Setting
For preparing the Extinction report which mathematically has defined by RCS+ACS.
Smr.razavizadeh@ieee.org 2017

Parametric Studies:
As stated in the paper the figure 3 shows the extinction cross section for three different thicknesses of ∆
(here “dgr”) 500nm, 200nm and 5nm, since we updated two times the thickness and run the model. The
final result shown in the below figure:
Smr.razavizadeh@ieee.org 2017

The Modeling of Graphene in COMSOL


Now, it’s important that we can verify the numerical modeling of graphene in COMSOL Multiphysics, an
interactive environment for modeling and simulating scientific and engineering problems.
The graphene can be model as a Drude-Lorentz model in COMSOL as the following:
First step: Defining the parameters and variables

omega_p:
sqrt(log(2*cosh(Ef/(2*k_B_const*temp)))* (2*(e_const^2)*k_B_const*temp)/( pi*(hbar_const^2)*
(epsilon0_const*dgr)))

Second step: drawing the model of a graphene sheet based on the paper of Ignacio Llatser, entitled in the
previous section.
Smr.razavizadeh@ieee.org 2017

Third Step: Adjusting the Drude-Lorentz Setting

Forth Step: we have some steps for modeling our example as a scattering problem that we ignore all

because you can find those in a Comsol-example entitled as “ ”, so the last


step is computation of the problem and the extracting the table graph of the Extinction plot, as shown in
the following figure.

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