Soviet Physics Journal

, Volume 34, Issue 5, pp 440–445 | Cite as

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

  • V. F. Perevalova
  • P. P. Kaminskii
  • V. M. Kuznetsov
Solid State Physics
  • 15 Downloads

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.

Keywords

Total Energy Specific Form Interaction Potential Free Electron Binary Alloy 

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Literature cited

  1. 1.
    V. M. Kuznetsov and P. P. Kaminskii, Fiz. Met. Metalloved.,63, No. 1, 38–45 (1987).Google Scholar
  2. 2.
    V. M. Kuznetsov, P. P. Kaminskii, and V. F. Perevalova, Fiz. Met. Metalloved.,63, No. 2, 213–218 (1987).Google Scholar
  3. 3.
    P. P. Kaminskii and V. M. Kuznetsov, Izv. Vyssh. Uchebn. Zaved., Fiz., No. 12, 36–41 (1986).Google Scholar
  4. 4.
    P. P. Kaminskii and V. M. Kuznetsov, Izv. Vyssh. Uchebn. Zaved., Fiz., No. 4, 39–43 (1987).Google Scholar
  5. 5.
    C. H. Hodges and M. J. Stott, Phil. Mag.,26, No. 2, 375–392 (1972).Google Scholar
  6. 6.
    D. J. Gonzalez and J. A. Alonso, Physica B,112, No. 1, 73–77 (1982).Google Scholar
  7. 7.
    M. P. Iniguez, J. A. Alonso, D. J. Gonzalez, and M. L. Zorito, J. Phys. F,12, No. 9, 1907–1921 (1982).Google Scholar
  8. 8.
    F. Herman and S. Skillman, Atomic Structure Calculation, Prentice-Hall, New Jersey (1963).Google Scholar
  9. 9.
    V. M. Kuznetsov and P. P. Kaminskii, Preprint No. 13, Institute of the Physics of the Strength of Materials and Materials Sciences, Siberian Branch of the Academy of Sciences of the USSR, Tomsk (1985).Google Scholar
  10. 10.
    D. J. Chadi and M. L. Cohen, Phys. Rev. B,8, No. 12, 5747–5753 (1973).Google Scholar
  11. 11.
    R. Benedek, Phys. Rev. B,15, No. 6, 2902–2913 (1977).Google Scholar

Copyright information

© Plenum Publishing Corporation 1991

Authors and Affiliations

  • V. F. Perevalova
    • 1
  • P. P. Kaminskii
    • 1
  • V. M. Kuznetsov
    • 1
  1. 1.Institute of the Physics of the Strength of Materials and Materials ScienceSiberian Branch of the Academy of Sciences of the USSRUSSR

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