Native Point Defect States in ZnO

The native point defect states in ZnO have been calculated by using a full-potential linear Muffin-tin orbital method. The results show that Zn vacancy and O interstitial produce the shallow acceptor levels above the valence band. The O vacancy produces a deep donor level, while Zn interstitial produces a shallow donor level, both below the conduction band. The Zn interstitial is the main factor to induce the native n-type conductivity in ZnO.