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A Strain in silicene

  1. Aug 11, 2016 #1
    Crystal structure silicene is belows:
    Code (Text):
    Na=2; % Number of atoms
    Nbnd=8; % number of bands
    q=0.03;
    w=0.30;
    aa=2.28;
    a=3.86;
    Csoc=0;
    EL=0;
    POSx(1)=4.45714;
    POSy(1)=0;
    POSz(1)=0;
    POSx(2)=2.22857;
    POSy(2)=0;
    POSz(2)=0.46;
    a1x=a*sqrt(3)/2;
    a1y=-a/2;
    a2x=a*sqrt(3)/2;
    a2y=a/2;

    sho=0;
    for is=[0,-1,1]
      for js=[0,-1,1]
      for ks=1:Na
      sho=sho+1;
      X(sho)=POSx(ks)+(is*a1x+js*a2x);
      Y(sho)=POSy(ks)+(is*a1y+js*a2y);
      Z(sho)=POSz(ks);
      Ax(sho)=(is*a1x+js*a2x);  % Vector for uint cell
      Ay(sho)=(is*a1y+js*a2y);
      No(sho)=ks;
      L0=sqrt(((POSx(2)-POSx(1))^2+(POSy(2)-POSy(1))^2+(POSz(2)-POSz(1))^2));
      end
      end
    end

    I wants to insert strain in x axis directions in tight binding model. How to changes top programs in the presence of strain? Is it only the lattice constant change (a=a0 (1+e))?
     
  2. jcsd
  3. Aug 16, 2016 #2
    Thanks for the thread! 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? The more details the better.
     
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