Abstract
The (AsGa)2-OAs defect in oxygen-doped GaAs, consisting of two As antisites neighboring an O center substitutional to As, is addressed through hybrid functional calculations. This defect not only accounts for the nearest neighbor environment of the O atom and the observed charge states but also yields a Fermi-level pinning position and optical transition energies between charge states in excellent agreement with experiment. The present assignment strongly supports the (AsGa)2-OAs center as origin of the Fermi-level pinning in oxygen-doped GaAs.
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