Abstract
Application of the pseudopotential method to noble metal ordered alloys is considered in this paper. Expressions are obtained for the Fourier components of the crystal potential and for the total electronic energy of the alloy. The pseudopotential matrix elements are factorized, and the possibility of transforming to a pair interaction representation is shown. Expressions are obtained for the pair potential of indirect interionic interactions in a noble metal binary ordered alloy.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 21–28, August, 1973.
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Dement'ev, V.M., Kozlov, É.V. Total electronic energy of a noble metal ordered alloy in the pseudopotential method. Soviet Physics Journal 16, 1053–1059 (1973). https://doi.org/10.1007/BF00890455
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DOI: https://doi.org/10.1007/BF00890455