Formation energies of Schottky defects in alkaline earth oxides

Abstract

Schottky defect formation energies of alkaline earth oxides have been calculated by the procedure of Mott and Littleton, employing two parameter repulsive potentials. It is found that the polarizability of oxygen ion must be substantially lower in the case of MgO to obtain meaningful defect formation energy. Use of both displacement and anion polarizabilities, obtained from respective dielectric data, for each oxide, yields defect formation energies that are in fair agreement with more recent experimental values, for all the alkaline earth oxides.