E centers in ternary Si1−x−yGexSny random alloys

Alexander Chroneos, H. Bracht, R. W. Grimes, C. Jiang, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

49 Scopus citations

Abstract

Density functional theory calculations are used to study the association of arsenic (As) atoms to lattice vacancies and the formation of As-vacancy pairs, known as E centers, in the random Si0.375Ge0.5Sn0.125 alloy. The local environments are described by 32-atom special quasirandom structures that represent random Si1−x−yGexSny alloys. It is predicted that the nearest-neighbor environment will exert a strong influence on the stability of E centers in ternary Si0.375Ge0.5Sn0.125.
Original languageEnglish (US)
Pages (from-to)112101
JournalApplied Physics Letters
Volume95
Issue number11
DOIs
StatePublished - Sep 14 2009

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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