Abstract
In the last years, complexes formed by atomic H and gallium vacancies ${(V}_{\mathrm{Ga}})$ have been investigated in order to account for donor-acceptor bands observed in the photoluminescence spectra of hydrogenated GaAs. New configurations for these complexes are investigated here, together with the kinetic properties of the H donors that affect the complex stability critically. In addition to the H donor, a peculiar ${V}_{\mathrm{Ga}}\ensuremath{-}\mathrm{H}$ complex has been shown to behave as a donor. The electronic levels in the energy gap and several H vibrational modes have been studied for the new and the old configurations of the $\mathrm{H}\ensuremath{-}{V}_{\mathrm{Ga}}$ complexes, as well as for the new donor. The new complexes are more stable than those previously studied and can well account for the photoluminescence results. The values of the H vibrational frequencies are quite different for the different types of complexes, which should permit a determination of the microstructure of the $\mathrm{H}\ensuremath{-}{V}_{\mathrm{Ga}}$ complexes by infrared spectroscopy.
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