Calculation of di-interstitial diffusion barriers in GaAs by density functional theory

Intrinsic di-interstitial are stable against the isolated self-interstitial point defects in GaAs making such complexes important in, for instance, irradiated GaAs. We illustrate and discuss diffusion of such complexes in comparison with isolated self-interstitials studied by first priciples tota energy calculations. It is shown that di-interstitials can diffuse rapidly through the lattice, similarly to isolated self-interstitials.