Z1/Z2 defects in 4H-SiC.

First-principles calculations are carried out on models for the Z(1)/Z(2) defects in 4H-SiC which are found in as-grown and irradiated n-type material. We show that an interstitial-nitrogen-interstitial-carbon defect is exceptionally thermally stable, bistable, and has negative-U character with donor and acceptor levels close to those attributed to the defect.