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Green’s Function Calculation of Surface Phonons in Ionic Crystals

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AB Initio Calculation of Phonon Spectra

Abstract

How can a paper on the Green’s function method applied to surface lattice dynamics fit to a workshop on “Ab-initio calculation of phonon spectra”? We think that the answer comes out from the very essence of the method. All what happens at the free surface of a solid, such as the change of force constants, of atomic equilibrium positions, of electronic structure, is due to intrinsic properties of the bulk Hamiltonian manifesting themselves through the symmetry breaking. Thus a full knowledge of the dynamical structure of the bulk, regardless whether obtained ab-initio or in a phenomenological way, should be sufficient to account for all the surface intrinsic dynamical properties. In the Green’s function (GF) method applied to surface problems the bulk dynamical structure is the basic ingredient, whereas the perturbation of an intrinsic surface, induced by the symmetry breaking, turns out to be fully described by the corresponding change in the translational invariance (TI) and rotational invariance (RI) sum rules.

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References

  1. I.M. Lifshitz and L.N. Rosenzweig, Zh. Eksperim. i. Teor. Fiz. 18, 1012 (1948).

    Google Scholar 

  2. A.A. Maradudin and J. Melngailis, Phys. Rev. 133, A1188 (1964).

    Article  Google Scholar 

  3. L. Dobrzynski and G. Leman, J. Phys. (Paris) 30, 116 (1969).

    Google Scholar 

  4. S.W. Musser and K.H. Rieder, Phys. Rev. B2, 3034 (1970).

    Google Scholar 

  5. G. Benedek, Phys. Stat. Sol. (b) 58, 661 (1973).

    Article  CAS  Google Scholar 

  6. A.A. Maradudin and L.J. Sham, in “Lattice Dynamics”, ed. M. Balkanski, Flammarion Sciences, Paris (1978), p. 296.

    Google Scholar 

  7. G. Benedek, Surf. Sci. 6l, 603 (1976).

    Article  Google Scholar 

  8. G. Benedek and G.F. Nardelli, Phys. Rev. 155, 1004 (1967).

    Article  CAS  Google Scholar 

  9. M.V. Klein, in “Physics of Color Centers”, ed. W. Beali Fowler, Academic Press, New York (1968), p. 430.

    Google Scholar 

  10. I.M. Lifshitz, Nuovo Cimento Suppl. 3, 732 (1956).

    Google Scholar 

  11. A. Messiah, “Mécanique Quantique”, Dunod, Paris (1959).

    Google Scholar 

  12. K.L. Klievew and R. Fuchs, in “Advances in Chemical Physics”, vol. XXVII, eds. I. Prigogine, A. Stuart Rice, J. Wiley & Sons, New York (1974), p. 355.

    Google Scholar 

  13. G. Benedek, in “Dynamics of Gas-Surface Interaction”, eds. G. Benedek, U. Valbusa, Springer Verlag, Berlin (1982).

    Google Scholar 

  14. A.A. Maradudin, E.W. Montroll, G.A. Weiss and I.P. Ipatova, “Lattice Dynamics in Harmonic Approximation”, Solid State Physics Suppl. 3, 2nd ed., Academic Press, New York (1971).

    Google Scholar 

  15. G. Benedek and V. Velasco, Phys.Rev. B23, 6691 (1981).

    Article  CAS  Google Scholar 

  16. G. Brusdeylins, R.B. Doak and J.P. Toennies, Phys. Rev. Lett. 44, 1417 (1980) and 16, 437 (1981).

    Article  Google Scholar 

  17. R.B. Doak, M.I.T. Thesis (1981); G. Benedek, G. Brusdeylins, R.B. Doak and J.P. Toennies, in “Proceedings of the International Conference on Phonon Physics, Bloomington, 1981”, ed. W.E. Bron, J. Phys. (Paris), Suppl. (in press) and private communication from G. Brusdeylins, R.B. Doak and J.P. Toennies.

    Google Scholar 

  18. T.S. Chen, F.W. de Wette, G.P. Alldredge, Phys. Rev. B15s, 1167 (1977).

    Article  CAS  Google Scholar 

  19. A. Bilz and W. Kress, “Phonon Dispersion Relation in Insulators”, Springer Verlag, Berlin (1979).

    Google Scholar 

  20. U. Schröder, Sol. Stat, Comm. 4, 347 (1966). U. Schröder arid V. Niisslein, Phys. Stat. Sol. 21, 309 (1967).

    Google Scholar 

  21. G. Benedek and N. Garcia, Surface Sci. 103, L143 (1981).

    Article  CAS  Google Scholar 

  22. G. Benedek and F. Galimberti, Surface Sci. 71, 87 (1967).

    Article  Google Scholar 

  23. In previous calculations (refs. 5, 7 and 22) the expected degeneracy at the M point between x- and y-polarized surface modes was not verified. The pathological behaviour of a program routine in a small region around M was causing the misfit. An erratum is appearing in Surface Science. We remark that all recent calculations of interface dynamics (Ref. 15) and atom scattering cross sections (refs. 17, 21) are correct. We also note that this inconsistency is not one of the “deficiencies” mentioned by Kliever and Fuchs, ref. 12, which, on the contrary, do not exist.

    Google Scholar 

  24. A.A. Maradudin, R.F. Wallis and L. Dobrzynski, “Handbook of Surfaces and Interfaces”, vol. 3, Garland STPM Press, New York and London (1980).

    Google Scholar 

  25. G.P. Alldredge, Phys. Lett. 41A, 281 (1972).

    Article  CAS  Google Scholar 

  26. A.A. Lucas, J. Chem. Phys. 48, 3156 (1968).

    Article  CAS  Google Scholar 

  27. F.W. de Wette, in “Lattice Dynamics”, ed. M. Balkanski, Flamma- rion Sciences, Paris (1978), p. 275.

    Google Scholar 

  28. G. Dolling, E.G. Smith, R.M. Nicklow, P.R. Vijayaraghavan and M.K. Wilkinson, Phys. Rev. 168, 970 (1968).

    Article  CAS  Google Scholar 

  29. W.J. Buyers, Phys. Rev. 153, 983 (1967).

    Article  Google Scholar 

  30. J.R. Tessman, A.H. Kahn and W. Shockley, Phys. Rev. 92, 890 (1953).

    Article  CAS  Google Scholar 

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© 1983 Plenum Press, New York

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Benedek, G., Miglio, L. (1983). Green’s Function Calculation of Surface Phonons in Ionic Crystals. In: Devreese, J.T., Van Doren, V.E., Van Camp, P.E. (eds) AB Initio Calculation of Phonon Spectra. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3563-4_11

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  • DOI: https://doi.org/10.1007/978-1-4613-3563-4_11

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4613-3565-8

  • Online ISBN: 978-1-4613-3563-4

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