Thermal expansion of c-Si via ab initio molecular dynamics

F. Buda, R. Car, M. Parrinello

Research output: Contribution to journalArticlepeer-review

34 Scopus citations


We show that thermodynamic properties of semiconductors are accessible to first-principles calculations and can be computed with good accuracy.

Original languageEnglish (US)
Pages (from-to)1680-1683
Number of pages4
JournalPhysical Review B
Issue number3
StatePublished - 1990
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics


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