The diffusion and release of H, and its uptake from the gas phase, were modelled in Mg-doped wurtzite samples by using formation energies and vibration frequencies which had been deduced from density-functional theory. A comparison was made with the rates of D release and uptake, as measured via the nuclear-reaction analysis of D concentrations. Good agreement was found when account was taken of a surface permeation barrier.

Diffusion, Release and Uptake of Hydrogen in Magnesium-Doped Gallium Nitride - Theory and Experiment. S.M.Myers, A.F.Wright, G.A.Petersen, W.R.Wampler, C.H.Seager, M.H.Crawford, J.Han: Journal of Applied Physics, 2001, 89[6], 3195-202