Ab initio study of GaAs(100) surface stability over As2, H2 and N2 as a model for vapor-phase epitaxy of GaAs1−xNx

摘要: Abstract GaAs(100) c(4×4) surfaces were examined by ab initio calculations, under As2, H2 and N2 gas mixed conditions as a model for GaAs 1 − x N vapor-phase epitaxy (VPE) on GaAs(100). Using simple consisting of As2 molecules adsorptions As/N atom substitutions, it was shown to be possible examine the crystal growth behavior considering relative stability resulting against chemical potential gases. Such allows us draw picture temperature pressure domains each that can linked specific conditions, directly. We found that, using this model, is explain different N-incorporation regimes observed experimentally at temperatures, predict transition between these regimes. Additionally, rational explanation ratio provided. Our should then lead better comprehension control experimental needed realize high quality VPE .