Fig. 2: Electron gain or loss of TS during the VC diffusion in bulk 4H-SiC.
From: Transition state redox during dynamical processes in semiconductors and insulators

a Defect formation energy, Efmin, of the stable VC and its diffusion TS predicted by the fixed-charge and relaxed-charge approaches under C-rich condition. The violet star is an experimental value of the C self-diffusion barrier obtained in the temperature range of 2100–2350 ˚C30. b Comparison of hopping barrier, Eb, predicted by the two approaches