Pseudopotential calculation of the vacancy formation energy in polyvalent metals

Values of the vacancy formation energy have been calculated in polyvalent metals Be, Mg, Zn, Tl, and Sc, without taking into account lattice relaxation energy. Parameters of the model pseudopotential used in the calculations were determined from experimental phonon spectra. Sensitivity of the quantities calculated to the choice of the approximation for exchange-correlation corrections in the dieletric function has been studied.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 7–10, March, 1982.