First-principles molecular dynamics studies of diffusion processes in crystalline silicon

G. L. Chiarotti, F. Buda, E. Smargiassi, Roberto Car, M. Parrinello

Research output: Contribution to journalConference article

Abstract

We present a theoretical investigation of hydrogen diffusion and of vacancy induced self diffusion in crystalline silicon, via first-principle molecular dynamics simulations. We show that, in the high temperature regime, both processes are characterized by important dynamical effects.

Original languageEnglish (US)
Pages (from-to)175-189
Number of pages15
JournalProceedings - The Electrochemical Society
Volume91
Issue number4
StatePublished - Jan 1 1991
Externally publishedYes
EventSymposium on Process Physics and Modeling in Semiconductor Technology - Montreal, Que, Can
Duration: May 1 1990May 1 1990

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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