The oxygen-related defect complexes in AlN under gamma irradiation and quantum chemistry calculation

Oxygen-related defect complexes are important intrinsic defects in AlN ceramics, and their dynamic behavior has a close relationship with physical properties at high temperature. Gamma-ray irradiation has a major effect on the electronic excitation of intrinsic defects. Hence, thermoluminescence measurements after irradiation by gamma-ray can show the dynamic behavior of intrinsic defects or oxygen-related defect complexes in AlN ceramics. By choosing different kinds of AlN ceramics, the basic types of oxygen-related defect complexes (VAl-ON-3N and VAl-2ON-2N) are reflected by studying the spectra of luminescence measurements in the present research. The results of a quantum chemistry simulation indicates that the stability of the VAl-2ON-2N defect system is higher than that of the VAl-ON-3N defect system, and the difference in total energy for two kinds of defects is 0.56 eV