Band structure and electronic properties of native defects in cubic SiC

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Abstract
A set of semiempirical expressions for the two-center integrals which show the explicit dependence of these quantities on the atomic characteristics, on the dielectric constant, on the ionicity of the solid, and also on the interatomic separations is constructed for silicon carbide. These integrals enter the Slater-Koster parameters representing the Hamiltonian matrix elements in the tight-binding method of calculating the electronic band structure of the semiconductors. A large-cluster recursion method is then used to determine the local density of states associated with each orbital at a given atomic site and also to study the electronic states associated with native defects in SiC.