Total-energy calculations were performed for defect complexes that comprised N impurities and native defects. Complexes which involved substitutional N that was bound to a Zn interstitial or a Se vacancy were shown to be the most probable candidates for the compensating defect in p-type ZnSe. The results also showed that the clustering of defects in ZnSe was an energetically favoured process, and might explain the short lifetimes of ZnSe-based devices.

S.Pöykkö, M.J.Puska, R.M.Nieminen: Physical Review B, 1998, 57[19], 12174-80