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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Bibliographic Details
Published in:Materials science & engineering. B, Solid-state materials for advanced technology Solid-state materials for advanced technology, 2009-03, Vol.159, p.107-111
Main Authors: Ganchenkova, M.G., Oikkonen, L.E., Borodin, V.A., Nicolaysen, S., Nieminen, R.M.
Format: Article
Language:English
Subjects:
Calculations
E-center
Silicon
Vacancy
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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.
ISSN:0921-5107
1873-4944
DOI:10.1016/j.mseb.2008.10.040