A question about band structure silicene by tight binding

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The discussion centers on the challenges of plotting the band structure of silicene, which is similar to graphene. The original poster seeks guidance on plotting along the K→Γ→M→K path but struggles with the calculations necessary to derive the band structure. They mention difficulties in calculating the Hamiltonian matrix elements using Slater-Koster methods, particularly regarding the overlap between s and pz orbitals. Respondents clarify that the issue is not merely about plotting but involves the fundamental calculations needed to obtain the band structure. Assistance from someone experienced in silicene band structure calculations is suggested.
anahita
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Dear forum people,
I know that electronic properties silicene is the same graphene but i can not figure out how can I plot band strcture silicene. I want to plot that in the following path: K→Γ→M→K
 
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anahita said:
Dear forum people,
I know that electronic properties silicene is the same graphene but i can not figure out how can I plot band strcture silicene. I want to plot that in the following path: K→Γ→M→K

You keep talking about PLOTTING the band structure. Do you actually have the analytical form of the band structure and just don't know how to use a software package to plot it? Or what exactly about the "plotting" part that you need help with here?

Without such explanation, this is pretty vague!

Zz.
 
ZapperZ said:
You keep talking about PLOTTING the band structure. Do you actually have the analytical form of the band structure and just don't know how to use a software package to plot it? Or what exactly about the "plotting" part that you need help with here?

Without such explanation, this is pretty vague!

Zz.
Hamiltonian metrix is 8*8. i can not properly calculate elements of the matrix using slater-koster methods. for example overlap between orbitals s and pz is n*v(spσ) but i can't find cosine directions n,l,m.
 
anahita said:
Hamiltonian metrix is 8*8. i can not properly calculate elements of the matrix using slater-koster methods. for example overlap between orbitals s and pz is n*v(spσ) but i can't find cosine directions n,l,m.

Ok, this has a bit more information. This is not "plotting". This is the actual calculation to GET the band structure. There's a difference.

Someone who is more up to speed on the silicene band structure calculation may be able to help you.

Zz.
 
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