Vacancies in the wurtzite materials were studied using a computational method which was based upon density functional theory and took into account of the errors arising from the use of finite-sized super-cells and density functional theory band-gap underestimation. Negatively charged N vacancies in GaN and AlN were found to be stable; with formation energies similar to, but higher than, those of Ga and Al vacancies in n-type material under Ga- and Al-rich growth conditions, respectively.

Vacancies in Wurtzite GaN and AlN. K.Laaksonen, M.G.Ganchenkova, R.M.Nieminen: Journal of Physics - Condensed Matter, 2009, 21[1], 015803