We have used density functional theory 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. Our calculations indicate that the rate-limiting barrier for VN+ migration will be reduced by 0.58 eV by interplay with H+, which will enhance migration by more than an order of magnitude at typical GaN growth temperatures.
No takes yet. Share an insight, caveat, or question.
Wixom et al. (2005) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: