Microscopic structure of oxygen defects in gallium arsenide
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© 1999 American Physical Society (APS). This is the accepted version of the following article: Pesola, M. & Boehm, J. von & Sammalkorpi, V. & Mattila, T. & Nieminen, Risto M. 1999. Microscopic structure of oxygen defects in gallium arsenide. Physical Review B. Volume 60, Issue 24. R16267-R16270. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.60.r16267, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.60.R16267.
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
1999
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Language
en
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R16267-R16270
Series
Physical Review B, Volume 60, Issue 24
Abstract
Accurate total-energy pseudopotential methods are used to study the structures, binding energies, and local vibrational modes of various models for the Ga-O-Ga defect in GaAs. We find that the previously proposed models, OAs (an off-centered substitutional oxygen in arsenic vacancy) and OI (an oxygen atom occupying a tetrahedral interstitial site), are inconsistent with experimental data. We introduce a model, (AsGa)2−OAs (two arsenic antisites and one off-centered substitutional oxygen in arsenic vacancy), the properties of which are in excellent agreement with experimental characterizations.Description
Keywords
GaAs, oxygen defects, structures, binding energies, local vibrational modes
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Citation
Pesola, M. & Boehm, J. von & Sammalkorpi, V. & Mattila, T. & Nieminen, Risto M. 1999. Microscopic structure of oxygen defects in gallium arsenide. Physical Review B. Volume 60, Issue 24. R16267-R16270. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.60.r16267.