A comparable study of defect diffusion and recombination in Si and GaN

Both the static and kinetic properties of defects play fundamental roles in determining physical semiconductors. Compared to defects, a comprehensive understanding different diffusing types semiconductors is still lacking. In this article, based on extensive first-principles calculations, we have done comparative study diffusion mechanisms point Si (a typical elemental semiconductor) GaN compound semiconductor). The significantly vacancies interstitials result recombination mechanisms, i.e., novel synergistic effect accelerate annihilation observed but not GaN, indicating that an efficient self-recovery mechanism can exist GaN. Our results only explain some experimental observations under nonequilibrium irradiation conditions also provide good example understand