Advertisement

The Tight Binding Bond Model

  • D. G. Pettifor
  • A. J. Skinner
  • R. A. Davies

Abstract

The semi-empirical Tight Binding model1,2 is the simplest scheme for describing the energetics of semi-conductors and transition metals within a quantum mechanical framework.

Keywords

Pair Potential Atomic Energy Level Virtual Crystal Approximation Density Functional Energy Local Charge Neutrality 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    W. A. Harrison, “Electronic Structure and the Properties of Solids,” Freeman, San Francisco, (1980); and references therein.Google Scholar
  2. 2.
    V. Heine, R. Haydock, D. Bullett and M. J. Kelly, Sol. St. Phys. 35 (1980); and references thereinGoogle Scholar
  3. 3.
    J. Friedel, in “The Physics of Metals,” Cambridge University Press, London, p. 494 (1969).Google Scholar
  4. 4.
    F. Ducastelle, J. de Physique 31:1055 (1970).CrossRefGoogle Scholar
  5. 5.
    W. M. C. Foulkes, Pre Ph. D. thesis (1985); Ph. D. thesis, University of Cambridge (1987).Google Scholar
  6. 6.
    A. P. Sutton, M. W. Finnis, D. G. Pettifor and Y. Ohta, J. Phys. C 21:35 (1988).CrossRefGoogle Scholar
  7. 7.
    J. Harris, Phys. Rev. B31:1770 (1985).Google Scholar
  8. 8.
    P. Hohenberg and W. Kohn, Phys. Rev. 136:864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140:1133 (1965).CrossRefGoogle Scholar
  9. 9.
    P. W. Anderson, Phys. Rev. Lett. 21:13 (1968).CrossRefGoogle Scholar
  10. 10.
    D. G. Pettifor and R. Podloucky, J Phys. C19:315 (1986).Google Scholar
  11. 11.
    A. J. Skinner and D. G. Pettifor (to be published).Google Scholar
  12. 12.
    R. A. Davies and D. G. Pettifor (to be published).Google Scholar
  13. 13.
    D. G. Pettifor, Commun. Phys 1:141 (1976); J. Chem Phys. 69:2930 (1978).Google Scholar
  14. 14.
    D. G. Pettifor and C. M. Varma, J. Phys. C12:2253 (1979).Google Scholar
  15. 15.
    O. K. Andersen, §5.3 of A. R. Mackintosh and O. K. Andersen in: “Electrons at the Fermi Surface,” ed. M. Springford, Cambridge University Press, (1980).Google Scholar
  16. 16.
    D. G. Pettifor, Sol. St. Phys. 40:43 (1987); and references therein.CrossRefGoogle Scholar
  17. 17.
    M. Cyrot and F. Cyrot-Lackmann, J. Phys. F6:2257 (1976).CrossRefGoogle Scholar
  18. 18.
    W. Kolos and L. Wolniewicz, J. Chem. Phys. 41:12 (1964).Google Scholar
  19. 19.
    B. I. Min, H. J. F. Jansen and A. J. Freeman; Phys. Rev. B30:5076 (1984).Google Scholar
  20. 20.
    J. C. Slater, “Quantum Theory of Molecules and Solids,” Vol. 4, McGraw-Hill (1974).Google Scholar
  21. 21.
    O. Gunnarson and B. I. Lundquist, Phys. Rev. B13:10 (1976).Google Scholar
  22. 22.
    L. Goodwin, A. J. Skinner and D. G. Pettifor (to be published).Google Scholar
  23. 23.
    See, for example, D. J. Chadi, M. W. Finnis, A. P. Sutton and A.T. Paxton in this volume.Google Scholar
  24. 24.
    Y. Ohta, M. W. Finnis, D. G. Pettifor and A. P. Sutton (unpublished).Google Scholar
  25. 25.
    See, for example M. W. Finnis, K. L. Kear and D. G. Pettifor, Phys. Rev. Lett. 52:291 (1984).CrossRefGoogle Scholar

Copyright information

© Plenum Press, New York 1989

Authors and Affiliations

  • D. G. Pettifor
    • 1
  • A. J. Skinner
    • 1
  • R. A. Davies
    • 1
  1. 1.Department of MathematicsImperial College of Science Technology and MedicineLondonUK

Personalised recommendations