Chroneos, A.; Jiang, C.; Grimes, R. W.; Schwingenschlögl, U. and Bracht, H.
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|DOI (Digital Object Identifier) Link:||http://doi.org/10.1063/1.3224894|
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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.
|Item Type:||Journal Article|
|Copyright Holders:||2009 American Institute of Physics|
|Academic Unit/Department:||Mathematics, Computing and Technology > Engineering & Innovation
Mathematics, Computing and Technology
|Depositing User:||Alexander Chroneos|
|Date Deposited:||07 Nov 2012 14:23|
|Last Modified:||25 Feb 2016 12:22|
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