Fig. 1: Electron loss of TS during the VGa diffusion in bulk GaAs.
From: Transition state redox during dynamical processes in semiconductors and insulators
a Defect formation energy, Efmin, of the stable VGa and its diffusion TS predicted by the fixed-charge and relaxed-charge approaches under As-rich condition. The violet star is an experimental value of the Ga self-diffusion barrier obtained in the temperature range of 800–1225 ˚C15. b Comparison of hopping barriers, Eb, predicted by the two approaches. EF is relative to the VBM. Charge state of each region is labelled. Vertical dashed lines indicate defect energy levels
