FORMATION ENERGIES AND ELECTRONIC-STRUCTURES OF NATIVE DEFECTS IN GAN

The electronic structures and the formation energies of native point d efects in cubic GaN have been studied via the linear muffin-tin orbita l method. The results show that the nitrogen vacancy is the dominant d efect in the intrinsic cubic GaN. Among the antisites and interstitial defects, it is found that a tetrahedral interstitial nitrogen atom su rrounded by four Ga atoms N-TGa is most easily formed, and the formati on energy of N-Ga antisite is much less than that of Ga-N antisite. Th e changes of the density of states due to the introduction of defects are discussed.