The question of C and Si vacancy diffusion in SiC was addressed by means of first-principles electronic structure calculations. As well as a thorough analysis of the stable configurations which were involved, the minimum-energy paths and the corresponding barriers in all of the relevant diffusion mechanisms were characterized.

First Principles Studies of Neutral Vacancies Diffusion in SiC. R.Rurali, E.Hernández, P.Godignon, J.Rebollo, P.Ordejón: Computational Materials Science, 2003, 27[1-2], 36-42