Surface sensitivity of impurity incorporation: Mg at GaN (0001) surfaces

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Abstract
The interplay of surface termination, reconstruction patterns, and availability of species involved determines the incorporation of impurities during growth. We study ab initio this interplay for Mg at the GaN (0001) surfaces and find that optimal incorporation conditions strongly depend upon surface orientation and cannot be predicted using bulk stoichiometric arguments. With reasonable assumptions on the kinetics, high densities of Mg can be achieved in the absence of hydrogen and the Ga surface displays superior incorporation characteristics to that of the N surface.