First-principles calculations were carried out for Si and C vacancies, interstitial H and V+H complexes in 3C-type material. Both types of vacancy exhibited an amphoteric electrical activity. At equilibrium, atomic H+ was at the ABC position, and H• was at the TSi site, while H0 did not appear to be stable with respect to them. Therefore, H could act both as a deep donor and as an electron trap. It was noted that H could passivate the VSi acceptor but not the VC donor.

Vacancies and their Complexes with H in SiC P.Deák, A.Gali, B.Aradi, N.T.Son, E.Janzén, W.J.Choyke: Materials Science Forum, 2000, 338-342, 817-20