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Phase Shift Parametrization: Band Structure of Silver

  • B. R. Cooper
  • E. L. Kreiger
  • B. Segall
Part of the The IBM Research Symposia Series book series (IRSS)

Abstract

We discuss a band parametrization scheme (within the KKR framework) specifying the phase shifts n0, n1, and n2 as functions of energy. Such an approach is particularly useful for the noble and transition metals where both d-band and free-electron-like effects are important. The n(E) for a family of elements are expected to have characteristic energy dependences, with each n(E) being specified over a substantial energy range by a few parameters. First, we show the existence of such characteristic behavior for the noble metals. We then use our phase shift parametrization scheme in a semi-empirical way to find the band structure of Ag. To do this, we use a first principles calculation as a guide, and adjust the parameters specifying the n(E) to fit available Fermi surface, optical and photoemission data.

Keywords

Phase Shift Band Structure Fermi Surface Fermi Energy Parametrization Scheme 
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References

  1. 1.
    B. R. Cooper, E. L. Kreiger, and B. Segall, Physics Letters 30A, 333 (1969); The idea of developing such a scheme had its genesis in a suggestion made by B. Segall and F. S. Ham in Methods in Computational Physics, vol. 8 Energy Bands of Solids, edited by B. Alder, S. Fernbach, and M. Rotenberg (Academic Press, New York, 19 6 8 ) Chapter 7.Google Scholar
  2. 2.
    For a review of the KKR method see the article by Segall and Ham cited above. We adopt the notation of that article.Google Scholar
  3. 3.
    B. Segall, Phys. Rev. 125, 109 (1962).CrossRefGoogle Scholar
  4. 4.
    B. Segall, General Electric Research Laboratory Report No. 61-RL-2785 G, 1961 (unpublished).Google Scholar
  5. 5.
    B. R. Cooper, H. Ehrenreich, and H. R. Philipp, Phys. Rev. 138, A494 (1965).CrossRefGoogle Scholar
  6. 6.
    C. N. Berglund and W. E. Spicer, Phys. Rev. 136, A1044 (1964).CrossRefGoogle Scholar
  7. 7.
    D. E, Eastman and J. K. Cashion, Phys. Rev. Letters 24, 310 (1970).CrossRefGoogle Scholar
  8. 8.
    D. J. Roaf, Phil. Trans. Roy. Soc. (London) 255, 135 (1962).CrossRefGoogle Scholar
  9. 9.
    H. Ehrenreich and H. R. Philipp, Phys. Rev. 128, 1622 (1962).CrossRefGoogle Scholar
  10. 10.
    E. C. Snow, Phys. Rev. 172, 708 (1968).CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1971

Authors and Affiliations

  • B. R. Cooper
    • 1
  • E. L. Kreiger
    • 1
  • B. Segall
    • 2
  1. 1.General Electric Research and Development CenterUSA
  2. 2.Case Western Reserve UniversityUSA

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