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.
Silicene is a two-dimensional material that consists of a single layer of silicon atoms arranged in a honeycomb lattice, similar to graphene.
Band structure in silicene refers to the arrangement and distribution of energy levels or bands of electrons in the material. It is an important characteristic that determines the electronic and optical properties of silicene.
Tight binding is a simple yet effective method for calculating the band structure of materials. It takes into account the interactions between neighboring atoms and provides a good approximation of the electronic structure of silicene.
Although both silicene and graphene have a similar honeycomb lattice structure, their band structures differ due to the difference in atomic number and bond strength. Silicene has a larger band gap than graphene, making it a potential candidate for semiconductor applications.
The band structure of silicene is influenced by various factors, including the lattice type, atomic arrangement, and external influences such as strain and electric field. The presence of defects and impurities can also significantly alter the band structure of silicene.