Experimental and theoretical studies on the magnetic property of carbon-doped ZnO

Intrinsic room-temperature ferromagnetism was detected over n-type carbon-doped ZnO prepared through solid-state reaction. Our results of first-principle calculations based on density functional theory revealed that the CZn4O12 unit is the origin of magnetic moment in the carbon-doped ZnO system. The carbon component has a significant contribution to the net magnetic moment, and any oxygen vacancy present in CZn4O12 has a negative effect on the magnetic properties of the system. Moreover, both antiferromagnetic and ferromagnetic interactions are predicted among carbon atoms located at different C-C distances. The result suggests that the defect density influenced by the distribution of carbon has a significant effect on the magnetic properties of the carbon-doped ZnO system. Crown Copyright (C) 2009 Published by Elsevier B.V. All rights reserved.