Microscopic theory of atomic diffusion mechanisms in silicon

R. Car, P. J. Kelly, A. Oshiyama, S. T. Pantelides

Research output: Contribution to journalArticlepeer-review

8 Scopus citations


Self-interstitials in Si are known to migrate athermally at very low temperatures (-4 K). In contrast, at hightemperatures (1100-1600 K), self-diffusion has an activation energy of -5 eV. We describe results of self-consistent Green's-function total energy calculations which, for the first time, provide detailed microscopic understanding of the mechanisms underlying these phenomena and reconcile the contrasting low- and high-temperature data.

Original languageEnglish (US)
Pages (from-to)401-407
Number of pages7
JournalPhysica B+C
Issue number1-3
StatePublished - Dec 1984
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Engineering


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