Structural model for pseudobinary semiconductor alloys

Matthias C. Schabel, José Luriaas Martins

Research output: Contribution to journalArticle

24 Scopus citations

Abstract

Using the Keating valence-force-field model with large periodic supercells, we analyze the structural relaxations of pseudobinary III-V and II-VI semiconductor alloys. We quantitatively predict the dependence of bond lengths and second-neighbor distances on alloy composition, and show that the multimodal distributions of second-neighbor distances may be explained in terms of a simple set of local geometries. Intrinsic alloy broadening of bond-length distributions is also calculated and compared with experimentally measured values.

Original languageEnglish (US)
Pages (from-to)11873-11883
Number of pages11
JournalPhysical Review B
Volume43
Issue number14
DOIs
StatePublished - Jan 1 1991

ASJC Scopus subject areas

  • Condensed Matter Physics

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