期刊
APPLIED PHYSICS LETTERS
卷 95, 期 11, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3224894
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资金
- King Abdullah University of Science and Technology (KAUST)
- Deutsche Forschungsgemeinschaft
- U. S. Department of Energy
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. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3224894]
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