Anti-site pair in SiC: a model of the DI center

Abstract

The DI low-temperature photoluminescence center is a well-known defect stable up to 1700°C annealing in SiC, still its structure is not known after decades of study. Combining experimental and theoretical studies in this paper we will show that the properties of an anti-site pair can reproduce the measured one-electron level position and local vibration modes of the DI center and the model is consistent with other experimental findings as well. We give theoretical values of the hyperfine constants of the anti-site pair in its paramagnetic state as a means to confirm our model.