ABSTRACTWe have calculated the thermal equilibrium concentrations of the various Ga vacancy species in GaAs. That of the triply-negatively-charged Ga vacancy, V3Ga has been emphasized, since it dominates Ga self-diffusion and Ga-Al interdiffusion under intrinsic and ndoping conditions, as well as the diffusion of Si donor atoms occupying Ga sites. Under strong n-doping conditions, the thermal equilibrium V3Ga concentration, CeqvGa.3−(n), has been found to exhibit a temperature independence or a negative temperature dependence, in the sense that the CeqvGa.3−(n) value is either unchanged or increases as the temperature is lowered. This is contrary to the normal positive temperature dependence of point defect theerqmal equilibrium concentrations, which decreases as the temperature is lowered. This CeqvGa.3−(n) property provides explanations to a number of outstanding experimental results, either requiring the interpretation thatV3−Ga has attained its thermal equilibrium concentration at the onset of each experiment, or requiring mechanisms involving point defect non-equilibrium phenomena. Furthermore, there exist also a few quantitative data which are in agreement with the presently calculated results.
Oxygen self-diffusion in ThO2under pressure: connecting point defect parameters with bulk properties
