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- W2094942016 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, ${mathrm{O}}_{mathrm{As}}$ (an off-centered substitutional oxygen in arsenic vacancy) and ${mathrm{O}}_{mathrm{I}}$ (an oxygen atom occupying a tetrahedral interstitial site), are inconsistent with experimental data. We introduce a model, $({mathrm{As}}_{mathrm{Ga}}{)}_{2}ensuremath{-}{mathrm{O}}_{mathrm{As}}$ (two arsenic antisites and one off-centered substitutional oxygen in arsenic vacancy), the properties of which are in excellent agreement with experimental characterizations." @default.
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- W2094942016 date "1999-12-15" @default.
- W2094942016 modified "2023-10-09" @default.
- W2094942016 title "Microscopic structure of oxygen defects in gallium arsenide" @default.
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- W2094942016 doi "https://doi.org/10.1103/physrevb.60.r16267" @default.
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