Divacancy in 4H-SiC

Abstract

Electron paramagnetic resonance and ab initio supercell calculations suggest that the $P6/P7$ centers, which were previously assigned to the photoexcited triplet states of the carbon vacancy-antisite pairs in the double positive charge state, are related to the triplet ground states of the neutral divacancy. The spin density is found to be located mainly on three nearest C neighbors of the silicon vacancy, whereas it is negligible on the nearest Si neighbors of the carbon vacancy.