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Cellular approximation of the method of the model electron density functional. Disordered alloys

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Abstract

An expression is obtained, by the method of cells, for the total energy of metals and disordered binary alloys that is accurate up to first order in the deviation of the densities of almost free electrons from their average values. The use of the average values of the electron densities over the Wigner-Seitz cells makes it possible to eliminate the specific form of the interaction potential of almost free electrons with the core and valence d and f electrons and to determine their integral effect in terms of the equilibrium properties of pure metals.

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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 5, pp. 71–76, May, 1991.

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Perevalova, V.F., Kaminskii, P.P. & Kuznetsov, V.M. Cellular approximation of the method of the model electron density functional. Disordered alloys. Soviet Physics Journal 34, 440–445 (1991). https://doi.org/10.1007/BF00897407

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Keywords

  • Total Energy
  • Specific Form
  • Interaction Potential
  • Free Electron
  • Binary Alloy