摘要
The influence of oxygen vacancy on the magnetism of Co-doped ZnO has been investigated by the first-principles calculations. It is suggested that oxygen vacancy and its location play crucial roles on the magnetic properties of Co-doped ZnO. The exchange coupling mechanism should account for the magnetism in Co-doped ZnO with oxygen vacancy and the oxygen vacancy is likely to be close to the Co atom. The oxygen vacancy （doping electrons） might be available for carrier mediation but is localized with a certain length and can strengthen the ferromagnetic exchange interaction between Co atoms.
The influence of oxygen vacancy on the magnetism of Co-doped ZnO has been investigated by the first-principles calculations. It is suggested that oxygen vacancy and its location play crucial roles on the magnetic properties of Co-doped ZnO. The exchange coupling mechanism should account for the magnetism in Co-doped ZnO with oxygen vacancy and the oxygen vacancy is likely to be close to the Co atom. The oxygen vacancy （doping electrons） might be available for carrier mediation but is localized with a certain length and can strengthen the ferromagnetic exchange interaction between Co atoms.
基金
supported by the National Key Project for Basic Research of China (Grant No. 2005CB623605)
the Fund of National Engineering Research Center for Optoelectronic Crystalline Materials (Grant No. 2005DC105003)
the National Natural Science Foundation of China (Grant No. 60876069)
