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Can I get Bandgap of 3D material with 1D Hamiltonian

by Arya_
Tags: bandgap, hamiltonian, material
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Arya_
#1
Feb18-14, 05:56 PM
P: 8
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
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cgk
#2
Feb19-14, 12:41 PM
P: 435
No. Why do you think this should be possible? A one-dimensional chain of something is a completely different physical system than a 3d bulk material. (And that is not even considering the /massive/ approximations in what I can only guess you are doing)


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