Antisite Defect SiC as a Source of the DI Center in 4H-SiC

D-I center, as a widely existed defect in 4H-SiC, has attracted much attention in recent years, while the origin of it is still unclear. Herein, by comparing first-principles calculated potential point defects-related zero-phonon lines (ZPLs) and nonradiative capture cross-sections with the D-I center-related values in the experiment, it is proposed that the transition from the bound exciton states about 57 meV below the CBM to the "+1/+2" level of antisite defect Si-C is responsible for the D-I center in 4H-SiC. This work describes the temperature and transition energy level dependence of the hole capture cross-section of antisite defect SiCh in 4H-SiC, which provides an idea for the optimal design of point defects in semiconductor materials.