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Tight binding supercell help

  1. Sep 27, 2010 #1

    I am trying to construct the tight binding Hamiltonian for 2X1X1 GaAs supercell in SP3S* model and to study band folding. I am a newcomer to this field so kindly reply me how and where to start

    I know that there would be 20 orbitals in the supercell unit cell, 10 in the first primitive cell and 10 in the next primitive cell. I don't know how these orbitals couple each other. I thought they wont couple to get the Hamiltonian in block diagonal form which is not true. Please help me to proceed
    Jose Mathew
  2. jcsd
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