Semiempirical Construction of LCAO Parameters for II–VI Compound Semiconductors

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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 the II–VI compound semiconductors. The Slater‐Koster parameters are then constructed from these expressions for the two‐center integrals. The band structures of various zinc and cadmium compounds are obtained and are compared with other theoretical calculations and with experimental photoemission results.