Calculating the Band Structure of 3C-SiC Using sp3d5s*+ Model
Abstract
We report on a semi-empirical tight binding model for 3C-SiC including the effect of sp3d5s* orbitals and spin-orbital 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 3C-SiC band diagram both in terms of the experimental energy levels at high symmetry points and the effective masses.
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