Ab initio study of ZnCoO diluted magnetic semiconductor and its magnetic properties

► We have studied the electronic and magnetic properties of ZnCoO using the GGA and GGA + U. ► The GGA + U calculations show that the ZnCoO system shows semiconductor band structures. ► The obtained magnetic moment on Co is larger in the GGA + U case. ► Antiferromagnetic order between nearest-neighbour magnetic ions was predicted. ► Our results suggest that the range of magnetic interaction is short in ZnCoO.