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Divacancies in the Ga-related III-V compound semiconductors: Electronic structure and charge states.

We report on theoretical calculations for the electronic structure of the divacancies at different charge states in the three Ga-related III-V compound semiconductors, GaP, GaAs, and GaSb, based on a self-consistent tight-binding theory. The calculations are done with the use of the recursion method and the supercell approximation. We show that the dicavancies can have many charge states. We calculate the energy positions and localizations of the defect levels for the predicted charge states