Calculating the band structure of ۳C-SiC using sp۳d۵s* + ∆ model

AbstractWe report on a semiempirical tight-binding model for ۳C-SiC including the effect of sp۳d۵s* orbitals and spin–orbit coupling (∆). In this work, we illustrate in detail the method to develop such a model for semiconductors with zincblende structure, based on Slater–Koster integrals, and we explain the optimization method used to fit the experimental results with such a model. This method shows high accuracy for the evaluation of ۳C-SiC band diagram in terms of both the experimental energy levels at high symmetry points and the effective masses.

Keywords:

Semiempirical tight , binding , Electronic band structure , SiC