Ferromagnetism in pure wurtzite zinc oxide

The ferromagnetism induced by the intrinsic point defects in wurtzite zinc oxide is studied by using ab initio calculation based on density functional theory. The calculations show that both oxygen interstitial and zinc vacancy may induce ferromagnetism into this material. The calculations also show that zinc oxide with oxygen interstitial may be a ferromagnetic semiconductor. Based on the simplified electronic configuration of the defect molecules, we explain the total magnetic moment, electronic structure, and ferromagnetism. (C) 2009 American Institute of Physics. [DOI: 10.1063/1.3062822]