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Technical Report · January 2017

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

Author: Seyed Mohammadreza Razavizadeh

Electronic Model of Graphene 1 Fig. 1 depicts an infinite graphene lying in the xy-plane at the interface between two different mediums

generally characterized by µ 1 ,ε 1 for z0 and µ 2 ,ε 2 for z<0 , respectively.

z ≥ 0 and µ 2 , ε 2 for z<0 , respectively. Graphene can be

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=σ x a x +σ y a y . This conductivity is a multi-variable dependent function as below:

( ( / ), ( ), , )= + (1)

Where ω is radian frequency, µ C is the chemical potential 2 [or Fermi level which can be controlled by an

applied electrostatic bias field E 0 =E 0 az, 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 B 0 =B 0 az 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 µ C or E F (https://en.wikipedia.org/wiki/Fermi_level).

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2017

II) Electrostatic bias, no magnetostatic bias nor spatial dispersion (E 0 0 ,B 0 =0 ). In this case the

conductivity matrix is diagonal:

= = ( ( )) = =0

III) Magnetostatic bias, (B 0 0 , and possibly E 0 0). This case refer as the local Hall Effect regime.

Effective permittivity of Graphene 3

For the THz frequencies, where the photon energy , 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 µ C )

= 2

2cosh ( )

2

1

+

T: Temperature, E F : 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); ε 0 = 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 σ v :

=

2cosh (

)

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.

( )≜

+ ( )=

1 − ×

/ +

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.

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2017

= /

;

2cosh (

)

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

below:

( )= + ( )

= +

( )

Another representation of graphene is deduced by the classical Drude-Lorentz model of dielectric based

on ω o =0(resonance freq. of carrier) and ω p (Plasma frequency) as the following:

= 1−

( + ) , =

In other words we can say that graphene is represented by a thin metal with the plasma frequency

depending on the Fermi level

= 2

2cosh (

) /

E

2

(in matrix demo of graphene the normal component of the effective permittivity is ε e f f ,n = 1).

0 ω 345.1318 Tera Rad/sec p = Real part of ε eff -500 -1000 -1500
0
ω
345.1318
Tera Rad/sec
p =
Real
part of ε eff
-500
-1000
-1500
0
1
2
3
4
5
6
Re( ε eff )

Freq(THz)

4 x 10 4 imaginary part of ε eff 3 2 1 0 0 1
4 x 10 4
imaginary
part of ε eff
3
2
1
0
0
1
2
3
4
5
6
Im( ε eff )

Freq(THz)

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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.

of a Graphene slab at normal incident of a plane wave. The CST introduce two approximate

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

] which shown as Graphene & Graphene_Eps, respectively. After designing the model we define a new

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:

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Smr.razavizadeh@ieee.org 2017 Presetting for “Extinction” Report The distance of the model from the open

Presetting for “Extinction” Report

2017 Presetting for “Extinction” Report The distance of the model from the open boundaries are very

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:

model from the open boundaries are very important for getting the correct results for this reason

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2017

Plane wave excitation

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

of the reference the incident plane wave polarization is Ex. Frequency Domain Analysis We recommend that

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.

because of the very small thickness of the model uncheck the adaptive mesh refinement, as shown

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2017

Postprocessing Setting

For preparing the Extinction report which mathematically has defined by RCS+ACS.

2017 Postprocessing Setting For preparing the Extinction report which mathematically has defined by RCS+ACS.
2017 Postprocessing Setting For preparing the Extinction report which mathematically has defined by RCS+ACS.

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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:

200nm and 5nm, since we updated two times the thickness and run the model. The final

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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

First step: Defining the parameters and variables omega_p: sqrt(log(2*cosh(Ef/(2*k_B_const*temp)))*

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.

step: drawing the model of a graphene sheet based on the paper of Ignacio Llatser, entitled

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2017

Third Step: Adjusting the Drude-Lorentz Setting

2017 Third Step: Adjusting the Drude-Lorentz Setting Forth Step: we have some steps for modeling our

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

our example as a scattering problem that we ignore all because you can find those in

because you can find those in a Comsol-example entitled as “

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

the following figure.

”, so the last

of the Extinction plot, as shown in the following figure. ”, so the last ViewView publicationpublication
of the Extinction plot, as shown in the following figure. ”, so the last ViewView publicationpublication
of the Extinction plot, as shown in the following figure. ”, so the last ViewView publicationpublication