Theory of Surface States and Chemisorption

  • Jaroslav Koutecky
Part of the NATO Advanced Study Institutes Series book series (ASIC, volume 46)


Let us start with an obvious and consequently trivial statement. The theoretical methods useful for an investigation of solid surfaces must be closely related to the methods used for a description of both molecules and crystals, due to the fact that the same natural laws determine electronic structures of a solid surface as well as of molecules and crystals. For the same reason, important observable properties of a crystal surface can be considered as a synthesis or compromise between the properties of a solid bulk and of a molecule. Besides the properties which are customarily named physical, the existence of characteristic chemical properties offers a foundation for the large extremely important field of technical chemistry known as heterogeneous catalysis.


Determinantal Equation Dyson Equation Chemisorption Energy Solid State Theory Nonorthogonal Basis 
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  1. 1.
    J. Koutecky, Frog. Surface Mem. Sci., 11, 1 (1976).Google Scholar
  2. 2.
    T.B. Grimley, J. Phys. C: Solid State Phys., 3, 1934 (1970).CrossRefGoogle Scholar
  3. 2a..
    J. Ladik, in “Electronic Structures of Polymers and Molecular Crystals,” Ed. J. Andre, J. Ladik and J. Delhalle, Plenum Publishing Corporation, 1975, p. 23Google Scholar
  4. 2b.
    J. Ladik, Phys. Rev. B 17, 1663 (1978)CrossRefGoogle Scholar
  5. 3.
    I. Tamm., Z. Physik, 76, 849 (1932).CrossRefGoogle Scholar
  6. 3a.
    W. Shockley, Phys. Rev., 56, 317 (1939).CrossRefGoogle Scholar
  7. 4.
    T.A. Hoffmann, J. Chem. Phys., 9, 85 (1950).Google Scholar
  8. 5.
    J. Koutecky, Adv.Chem.Phys., 9, 85 (1965).CrossRefGoogle Scholar
  9. 5a.
    S.G. Davidson and J.P. Levine, Solid State Phys., 25, 37 (1970).Google Scholar
  10. 5b.
    J.D. Levine and S. Freeman, Phys.Rev., B 2,3255 (1970).CrossRefGoogle Scholar
  11. 5c.
    P. Kalkstein and D. Soven, Surf. Sci., 26, 85 (1971).CrossRefGoogle Scholar
  12. 5d.
    E-Ni Foo and How-Sen Wong, Phys.Rev., B 9, 1859 (1974).Google Scholar
  13. 6.
    D.M. Newns, Phys. Rev., 178, 1123 (1969).CrossRefGoogle Scholar
  14. 6a.
    T.B. Grimley, J.Vac.Sci.Technology, 8, 31 (1971).CrossRefGoogle Scholar
  15. 6b.
    M.J. Kelly, Surface Sci., 43, 587 (1974)CrossRefGoogle Scholar
  16. 6c..
    J.W. Gadzuk, Surface Sci., 43, 441 (1974)CrossRefGoogle Scholar
  17. 6d..
    M.J. Kelly and R. Haydock, Surf. Sci., 38, 139 (1973).CrossRefGoogle Scholar
  18. 7.
    T.B. Grimley in Structure and Properties of Metal Surfaces, Eds. S.Shimodaira, M. Maeda, G. Okamoto, M. Onchi and V. Tamai (Makruzen Tokyo,1973) p. 72Google Scholar
  19. 7a.
    M.J. Kelly, Surf.Sci., 43, 587 (1974).CrossRefGoogle Scholar
  20. 7b.
    M.J. Kelly, J.Phys. C.:Solid State Physics, 7, 157 (1974).CrossRefGoogle Scholar
  21. 8.
    R. Haydock, V. Heine and M.J. Kelly, J.Phys.C.: Solid State Physics, 5, 2845 (1972).CrossRefGoogle Scholar
  22. 8a.
    J.L. Moran-Lopez, J.Phys.F: 5, 1977 (1975).CrossRefGoogle Scholar
  23. 9.
    F. Cyrot-Lackmann, M.C. Desjonqueres and J.P.Gaspard J.Phys.C: Solid State Physics, 7, 925 (1974).CrossRefGoogle Scholar
  24. 10.
    O. Fromm, unpublished resultsGoogle Scholar
  25. 11.
    K. Hirabayaski, J.Phys.Soc.,(Japan)27, 1475 (1969).CrossRefGoogle Scholar
  26. 11a.
    K.C. Panday and J.C. Phillips, Surf.St.Com. 14, 439 (1970).CrossRefGoogle Scholar
  27. 11b.
    I. Alstrup, Phys.Stat.Sol.(b),45,209 (1971).CrossRefGoogle Scholar
  28. 12.
    W.Kohn and L.J. Sham, Phys.Rev.A, 140, 1133 (1965).CrossRefGoogle Scholar
  29. 12a.
    M.P. Lang, Solid State Commun., 9,1015 (1965).CrossRefGoogle Scholar
  30. 12b.
    M.P. Lang Phys. Rev. B, 4, 4234 (1971).Google Scholar
  31. 12c.
    S.C. Ying, J.R. Smith and W. Kohn, Phys. Rev., B, 11, 1483 (1975).CrossRefGoogle Scholar
  32. 12d.
    N.P. Lang and A.R. Williams, Phys.Rev.,Lett. 34, 531 (1975).CrossRefGoogle Scholar
  33. 13.
    J.A. Appelbaum and D.R. Hamann, Rev.Mod.Phys., 48, 479 (1976).CrossRefGoogle Scholar
  34. 13a.
    L.M. Kahn and S.C. Ying, Solid State Commun., 16, 799 (1973).CrossRefGoogle Scholar
  35. 13b.
    M. Schlueter, R. Chelikowsky, G. Loute and L. Cohen Phys. Rev. B, 12, 4200 (1975).CrossRefGoogle Scholar
  36. 13c.
    M. Schlueter and M.L. Cohen, Phys.Rev. B. 17,716 (1978).CrossRefGoogle Scholar
  37. 14.
    J.R. Schrieffer, J.Vac.Sci., Technol. 9, 561(1972).CrossRefGoogle Scholar
  38. 14a.
    J.R. Schrieffer and R. Gomer, Surf.Sci., 25, 315 (1971).CrossRefGoogle Scholar
  39. 14b.
    T.L. Einstein and J.R. Schrieffer, Phys. Rev. B, 7, 3629 (1973).Google Scholar

Copyright information

© D. Reidel Publishing Company, Dordrecht, Holland 1978

Authors and Affiliations

  • Jaroslav Koutecky
    • 1
  1. 1.Institut fuer Physikalische Chemie und Quantenchemie der Freien Universitaet BerlinGermany

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