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A question about slater-koster approximation

  1. Jun 23, 2015 #1
    Dear forum people
    in the Slater-Koster approximation interatomic matrix elements is a function of the cosine direction.
    How to calculate cosine direction for silicene by sp2 hybrid.
     
  2. jcsd
  3. Jun 23, 2015 #2

    DrDu

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    From what I understood, you are about to calculate the band structure of silicene in tight binding. I don't see why you have to use sp2 hybrids and don't simply work with the s, px and py orbitals.
     
  4. Jun 24, 2015 #3
    Hamiltonian formed in the basis {si,pxi,pyi,pzi,sj,pxj,pyj,pzj} so Hamiltonian matrix is 8*8.
    matrix components are attached.
     

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