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Pseudopotential calculation of the vacancy formation energy in polyvalent metals

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Abstract

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.

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Authors and Affiliations

  1. Institute of Atmosphere Optics, Siberian Branch, Academy of Sciences of the USSR, USSR

    E. V. Chulkov

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  1. E. V. Chulkov
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 7–10, March, 1982.

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Chulkov, E.V. Pseudopotential calculation of the vacancy formation energy in polyvalent metals. Soviet Physics Journal 25, 191–194 (1982). https://doi.org/10.1007/BF00891682

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  • DOI: https://doi.org/10.1007/BF00891682

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