Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

A Band structure silicene nanoribbons

  1. Jul 7, 2016 #1
    I've written the following program for drawing the band structure Silicene nanoribbons, but in a zero energy building is a straight line.
    Can help me to fixed problem.
    % tight binding calculations for zgnr

    clear;
    clc;
    close all;

    NU=14; % Number of atoms in unit cell
    Nbnd=4*NU; % number of bands
    aa=2.28;
    a=3.86;

    X(1)=1.9745;
    Y(1)=0;

    xswitch = 0;

    for ixy=2:NU
    if mod(ixy,2)==1
    Y(ixy)=Y(ixy-1)+aa;
    else
    Y(ixy)=Y(ixy-1)+aa*sind(30);

    X(ixy) = xswitch;

    if (ixy+1)<=NU
    X(ixy+1)=xswitch;
    end

    if xswitch == 0
    xswitch =aa*cosd(30);
    else
    xswitch = 0;
    end
    end
    end

    for iz=1:NU
    if mod(iz,2)==1
    Z(iz)=0.46152;
    else
    Z(iz)=0;
    end

    end

    sho=0;
    for is=[0,-1,1]
    for ks=1:NU
    sho=sho+1;
    XT(sho)=X(ks)+is*a;
    YT(sho)=Y(ks);
    ZT(sho)=Z(ks);
    Ax(sho)=is*a;
    No(sho)=ks;
    end
    end
    figure(1)
    plot(XT,YT,'*')
    Ax=Ax/a;


    for ik=1:101
    K(ik)=-pi+(ik-1)*((2*pi)/100);

    H=H0(Nbnd);

    for is=1:NU
    for js=1:sho
    dis=sqrt(((XT(is)-XT(js))^2)+((YT(is)-YT(js))^2));
    if abs(dis-2.232)<0.1 & abs(No(is)-No(js))>0
    l=(XT(is)-XT(js))/dis;
    m=(YT(is)-YT(js))/dis;
    n=(ZT(is)-ZT(js))/dis;
    h=hamiltonian(l,m,n);

    H((No(is)-1)*4+1:No(is)*4,(No(js)-1)*4+1:No(js)*4)=H((No(is)-1)*4+1:No(is)*4,(No(js)-1)*4+1:No(js)*4)+h*exp(i*K(ik)*Ax(js));

    end
    end

    end

    E(ik,1:Nbnd)=sort(real(eig(H)));


    pl(ik)=(ik-1)/100;
    end

    figure(2)
    plot(E)
     
  2. jcsd
  3. Jul 12, 2016 #2
    Thanks for the post! This is an automated courtesy bump. Sorry you aren't generating responses at the moment. Do you have any further information, come to any new conclusions or is it possible to reword the post?
     
Know someone interested in this topic? Share this thread via Reddit, Google+, Twitter, or Facebook

Have something to add?
Draft saved Draft deleted



Similar Discussions: Band structure silicene nanoribbons
Loading...