Recent content by barana

Matlab code for calculate band structure graphene nanoribbons under strain is below: clear; clc; close all; NU=12; % Number of atoms in unit cell Nbnd=4*NU; % number of bands q=0.03; w=0.41; aa=2.232*(1+q); a=3.866*(1+q); X(1)=1.9330*(1+q); Y(1)=0; xswitch = 0; for ixy=2:NU if...

Young’s modulus is given as the second derivative of the total energy with respect to the strain divided by the equilibrium volume. Can help me for the calculate equilibrium volume and young's modulus?

Why to calculate the mechanical properties of a material should be used Sigma bands?

Can help me for the write program for calculating nearest neighbours in graphene? Program the nearest neighbours for armchair graphene nanoribbon same as the follow: close all clear all clc L = 2; H = 4; lineatoms = 2 * H + 1; for i = 1:lineatoms if mod(i,2)==1 x(1,i) = .71; else...

Silicene structure is buckling. The A atoms are in the xy-plane and the B atoms are out of it. How calculate coordinates of atoms in Silicene?

I don't know how obtained |δ1|,|δ2|,|δ3|. δ1=( √3/2*a(1-ε11)-a/2*ε12 ; √3/2a*ε21-a/2*(1-ε22)) According to δ1, |δ1| not equal with |δ1| above maintained.

Dear forum people The new position of the carbon atoms under uniaxial strain r in the framework of elastic theory is shown by the following equation: ri'=(I+ε).ri in which ri and ri' are the position of the carbon atoms before and after the strain is applied, respectively. I is the unit matrix...

The problem was solved thanks

Thank you very much. I'm able to plot the 2D for graphene on matlab. matlab code is: close all clear all clc t=-2.550; acc=1.44e-10; a=1.732*acc; s=0:0.02:1 k_x=(2*pi/(sqrt(3)*a))*(1-s) k_y=(2*pi/(3*a))*(1-s) E1=t.*sqrt(1+4.*cos((sqrt(3).*a/2).*k_x).*cos((a/2).*k_y)+4.*cos((a/2).*k_y).^2)...

graphene lattice is:

implementing tight binding calculation in matlab. matlab cose in the following path: Γ→K→M→Γ is: Nk=20; t=-2.550; for ik=1:Nk+1 k_x=2*pi*(ik-1)/Nk*0; k_y=2*pi*(ik-1)/Nk*0.667; H=zeros(2)...

Best wishes and Thank you again. I have Hamiltonian matrix and overlap matrix. How to calculate tight binding dispersion for graphene in matlab? I would be appreciated if could some one give me a hand on my problem.

Hi I have Hamiltonian matrix and overlap matrix. How to calculate tight binding dispersion for graphene in matlab? I would be appreciated if could some one give me a hand on my problem.

Thank you very much. Your answer was useful.

I just learned how to get a tight-binding dispersion for graphene. But i can not figure out how can I plot that. I want to plot that in the following path: Γ→K→M→Γ I would be appreciated if could some one give me a hand on my problem. thanks for a lot.