Dynamical effects and vacancy motion in silicon at high temperature

Enrico Smargiassi, Roberto Car

Research output: Contribution to journalArticle

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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 ≥ 1200 K). 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.

Original languageEnglish (US)
Pages (from-to)57-64
Number of pages8
JournalInternational Journal of Modern Physics C
Volume7
Issue number1
DOIs
StatePublished - Jan 1 1996

All Science Journal Classification (ASJC) codes

  • Statistical and Nonlinear Physics
  • Mathematical Physics
  • Physics and Astronomy(all)
  • Computer Science Applications
  • Computational Theory and Mathematics

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