Theoretical properties of the N vacancy in p -type GaN(Mg,H) at elevated temperatures

S. M. Myers, A. F. Wright, M. Sanati, S. K. Estreicher

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The elevated-temperature properties of the N vacancy in Mg-doped, p -type GaN containing H were modeled using atomic-configuration energies and phonon densities of states obtained with density-functional theory. This study encompassed both equilibrium thermodynamics and the rates of diffusion and reaction processes and included the influences of a number of bound complexes involving the vacancy, the Mg dopant, and H. A comparison was made with published experimental information. Our results indicate that N vacancies extensively compensate Mg acceptors at higher doping levels.

Original languageEnglish
Article number113506
JournalJournal of Applied Physics
Issue number11
StatePublished - Jun 1 2006


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