TITLE

E centers in ternary Si1-x-yGexSny random alloys

AUTHOR(S)
Chroneos, A.; Jiang, C.; Grimes, R. W.; Schwingenschlögl, U.; Bracht, H.
PUB. DATE
September 2009
SOURCE
Applied Physics Letters;9/14/2009, Vol. 95 Issue 11, p112101
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
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.
ACCESSION #
44292317

 

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