- #1
josecherukara
- 3
- 0
Hi
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 won't couple to get the Hamiltonian in block diagonal form which is not true. Please help me to proceed
Thankingly
Jose Mathew
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 won't couple to get the Hamiltonian in block diagonal form which is not true. Please help me to proceed
Thankingly
Jose Mathew