Density functional theory was used to investigate diffusion of VN+ in the presence of H+. Optimal migration pathways were determined using the climbing image nudged elastic band and directed dimer methods. The calculations indicated that the rate-limiting barrier for VN+ migration will be reduced by 0.58eV by interplay with H+, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures.

H Enhancement of N Vacancy Migration in GaN. R.R.Wixom, A.F.Wright: Applied Physics Letters, 2005, 87[20], 201901