- #1
Arya_
- 7
- 0
Hi All,
Greetings!
I have a 3d material and I use result from first principal for getting the potential (U(x,y,z)). I then find average U(x) from U(x,y,z). Now if I write one dimensional Hamiltonian in X direction and use this value of U(x), can I get bandgap of the original 3d material (I am not interested to see the bandstructure, bandgap is what I need)
Thanks,
_Arya
Greetings!
I have a 3d material and I use result from first principal for getting the potential (U(x,y,z)). I then find average U(x) from U(x,y,z). Now if I write one dimensional Hamiltonian in X direction and use this value of U(x), can I get bandgap of the original 3d material (I am not interested to see the bandstructure, bandgap is what I need)
Thanks,
_Arya