Vacancies and E-centers in silicon as multi-symmetry defects

In this paper, using first-principles calculations, we demonstrate that vacancies and E-centers (AsV, SbV) in silicon can co-exist in several metastable configurations with notably different relaxation patterns, which have very similar formation energies. Thus these vacancy-type defects can be consi...

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Published inMaterials science & engineering. B, Solid-state materials for advanced technology Vol. 159; pp. 107 - 111
Main Authors Ganchenkova, M.G., Oikkonen, L.E., Borodin, V.A., Nicolaysen, S., Nieminen, R.M.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 15.03.2009
Subjects
Calculations
E-center
Silicon
Vacancy
E-center
Silicon
Vacancy
Calculations
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Summary:In this paper, using first-principles calculations, we demonstrate that vacancies and E-centers (AsV, SbV) in silicon can co-exist in several metastable configurations with notably different relaxation patterns, which have very similar formation energies. Thus these vacancy-type defects can be considered as multi-symmetry defects in the sense that, at elevated temperatures, the probabilities to find vacancies in different stable configurations are comparable. From an experimental point of view, the co-existence of various symmetries can complicate the identification of the defect.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0921-5107
1873-4944
DOI:10.1016/j.mseb.2008.10.040