INTERACTIONS OF HYDROGEN WITH NATIVE DEFECTS IN GAN

The atomic and electronic structure of hydrogen-vacancy complexes in G aN is investigated with pseudopotential-density-functional calculation s. Calculated formation energies provide information about the likelih ood of incorporation of these complexes in n-type and p-type material, and binding energies provide a measure for the dissociation energy. V ibrational frequencies yield a signature of the complex that should fa cilitate experimental Identification. The behavior of hydrogenated nit rogen vacancies during annealing of acceptor-doped GaN is discussed, a nd a correlation with the frequently observed luminescence band around 420 nm is proposed. [S0163-1829(97)51640-7].