Advertisement

Dangling Bonds Reconstruction at the Core of a 90° Partial Dislocation in Silicon: A Theoretical Study

  • Aldo Amore Bonapasta
  • Andrea Lapiccirella
  • Norberto Tomassini
  • Simon L. Altmann
  • Kenneth W. Lodge

Abstract

The energetics of bond reconstruction at the core of a 90° partial dislocation in silicon has been studied by means of HFR-MO-LCAO-SCF computations on Si5H10, Si9H18 and SilOH18 model molecular clusters’. These studies show the reconstructed geometry to be the most favourable one.

Keywords

Silicon Atom Lattice Vector Partial Dislocation Reconstructed Model Dangling Bond 
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.
    P.B. Hirsch: Jour, de Physique, Paris 40, C6, 27, (1980).Google Scholar
  2. 2.
    P.B. Hirsch: Jour, of Microsc. 118, 3, (1980).CrossRefGoogle Scholar
  3. 3.
    R. Jones: Jour, de Physique, Paris 40, C6, 33, (1979).Google Scholar
  4. 4.
    K.W. Lodge, S.L. Altmann, A. Lapiccirella and N. Tomassini: Phil. Mag. B 49, 41, (1984).CrossRefGoogle Scholar
  5. 5.
    J.R. Chelikowsky and J.C.H. Spence: Phys. Rev. B 30, 694, (1984).ADSCrossRefGoogle Scholar
  6. 6.
    S.L. Altmann, A. Lapiccirella and K.W. Lodge: Int. J. Quant. Chem. 23, 1057, (1983).CrossRefGoogle Scholar
  7. 7.
    S.L. Altmann, A. Lapicirella, K.W. Lodge and N. Tomassini: J. Phys. C 15, 5581, (1982).ADSCrossRefGoogle Scholar
  8. 8.
    A. Redondo, W.A. Goddard III, T.C. Me Gill and G.T. Surratt: Solid State Commun. 20, 733, (1976).ADSCrossRefGoogle Scholar
  9. 9.
    A. Redondo, W.A. Goddard III, T.C. Me Gill and G.T. Surratt: Solid State Commun. 21, 991, (1977).ADSCrossRefGoogle Scholar
  10. 10.
    G.T. Surratt and W.A. Goddard III: Phys. Rev. B 18, 2831, (1978).ADSCrossRefGoogle Scholar
  11. 11.
    K. Hermann and P.S. Bagus: Phys. Rev. B 20, 1603, (1979).ADSCrossRefGoogle Scholar
  12. 12.
    A.C. Kenton and M.W. Ribarsky: Phys. Rev. B 23, 2897, (1981).ADSCrossRefGoogle Scholar
  13. 13.
    L.C. Snyder and Z. Wasserman: Surf. Science 71, 407, (1978).ADSCrossRefGoogle Scholar
  14. 14.
    L.C. Snyder and Z. Wasserman: Surf. Science 77, 52, (1978).ADSCrossRefGoogle Scholar
  15. 15.
    L.C. Snyder, Z. Wasserman and J.W. Moskowitz: Jour. Vac. Sci. Technol. 16, 1266, (1979).ADSCrossRefGoogle Scholar
  16. 16.
    A. Amore Bonapasta, C. Battistoni, A. Lapiccirella, E. Semprini, F. Stefani and N. Tomassini: II Nuovo Cimento Sez. D 6, 51, (1985).ADSCrossRefGoogle Scholar
  17. 17.
    J.S. Binkley, R.A. Whiteside, R. Krisnan, R. Seeger, D.J. De Frees, H.B. Schlegel, S. Topiol, L.R. Kahan and J.A. Pople: GAUSSIAN 80, QCPE Program No.406,437 Indiana University (1980).Google Scholar
  18. 18.
    W.J. Hehre, R.F. Stewart and J.A. Pople: J. Chem. Phys. 51, 2657, (1969).ADSCrossRefGoogle Scholar
  19. 19.
    R. Ditchfield, W.J. Hehre and J.A. Pople: J. Chem. Phys. 54, 724, (1971).ADSCrossRefGoogle Scholar
  20. 20.
    L.C. Snyder and Z. Wasserman: Surf. Science 71, 407, (1978).ADSCrossRefGoogle Scholar
  21. 21.
    C. Battistoni, A. Lapiccirella, E. Semprini, F. Stefani and N. Tomassini: II Nuovo Cimento Sez. D 3, 663, (1984).ADSCrossRefGoogle Scholar
  22. 22.
    J.A. Pople: in Application of Electronic Structure Theory edited by H.F. Schefer III pag. 1, (1977), Plenum Press New York and London.Google Scholar
  23. 23.
    J. A. Pople and R.K. Nesbet: J. Chem. Phys. 22, 571, (1954).ADSCrossRefGoogle Scholar
  24. 24.
    To be published.Google Scholar

Copyright information

© Plenum Press, New York 1987

Authors and Affiliations

  • Aldo Amore Bonapasta
    • 1
  • Andrea Lapiccirella
    • 1
  • Norberto Tomassini
    • 1
  • Simon L. Altmann
    • 2
  • Kenneth W. Lodge
    • 2
  1. 1.ITSE - IMAI, A.d.R. National Research CouncilMonterotondo St.Italy
  2. 2.Department of Metallurgy and Science of MaterialsUniversity of OxfordOxfordEngland

Personalised recommendations