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Dynamical Effects And Vacancy Motion In Silicon At High Temperature

Author

Listed:
  • ENRICO SMARGIASSI

    (Centre Européen de Calcul Atomique et Moléculaire, ENS Lyon, 69364 Lyon CEDEX 07, France)

  • ROBERTO CAR

    (Departement de Physique, University of Geneva, Quai E. Ansermet, Geneva, Switzerland)

Abstract

We report a first-principles Molecular Dynamics investigation of the atomic motion in Silicon in the presence of an artificially created vacancy at high temperature(T ≥ 1200K). We observe that atomic diffusion events are affected by strong dynamical correlations. At temperatures close to the melting point we discover characteristic premelting phenomena which involve simultaneous jumps of several atoms and introduce a large amount of disorder in the structure.

Suggested Citation

  • Enrico Smargiassi & Roberto Car, 1996. "Dynamical Effects And Vacancy Motion In Silicon At High Temperature," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 7(01), pages 57-64.
    • Handle: RePEc:wsi:ijmpcx:v:07:y:1996:i:01:n:s0129183196000065
    DOI: 10.1142/S0129183196000065
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