Quantum Dielectric Theory of Electronegativity in Covalent Systems. I. Electronic Dielectric Constant

Electronegativity difference is redefined as a scaling parameter, generalizing the concept of valence difference. A procedure for its evaluation is developed in terms of the dielectric constants of diatomic crystals. A simple alternative to the Clausius-Mossotti theory of the electronic dielectric constant is developed in terms of this concept. The effect of d-electron states and of hydrostatic pressure are discussed, and procedures for their approximate evaluation are developed. The treatment is extended to 68 crystals of the diamond, zincblende, wurtzite, and rock-salt types; values of the electronegativity parameter are tabulated for these crystals.