Dissociation Energies of the Cd++ Vacancy Complex and of the Double Vacancy in Sodium Chloride

Abstract

Dissociation energies for two types of lattice imperfection (namely, the impurity ion vacancy complex and the double vacancy) have been determined theoretically for NaCl, using the semiclassical model of ionic crystals developed by Born and Mayer. The procedure followed in calculating these energies was based on the method developed by Mott and Littleton for computing the formation energies of single vacancies. The numerical results which were obtained are 0.44 ev and 0.89 ev for the dissociation energies of the complex and double vacancy, respectively.