oxidation of nitride semiconductors. Using the density functional method, we demonstrate
that under Al-rich conditions Al adatoms or O substitution on N sites can stabilize oxygen
adsorption on the (0001) surface. We identify three stabilization mechanisms: the electron
counting rule; oxide stoichiometry; and changes in hybridization of the surface Al. In contrast
to previous claims, we find that the O adsorption energies exhibit similar trends with …