The discussion revolves around the challenges of plotting the band structure of silicene, particularly along the path K→Γ→M→K. Participants express difficulties in both the plotting process and the underlying calculations necessary to derive the band structure.
Participants do not appear to reach a consensus on the specific challenges faced in plotting the band structure or the calculations involved. Multiple viewpoints regarding the nature of the problem remain present.
The discussion highlights limitations in the clarity of the initial requests for help, as well as the complexity of the calculations involved in deriving the band structure, which may depend on specific definitions and methods.
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
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.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.
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.