Abstract: | Zn1‐xCux O powders were synthesized by using sol‐gel method. Electronic band structure and ferromagnetic properties of Zn1‐xCux O powders were studied experimentally and theoretically. The simulations are based upon the Perdew‐Burke‐Ernzerhof form of generalized gradient approximation within the density functional theory. Zn1‐xCux O shows dilute ferromagnetism, as a saturated magnetization of 0.9×10‐3emu/g was observed for Zn0.95Cu0.05O powders. The strong p ‐d hybridization between Cu and its four neighbouring O atoms is responsible for the ferromagnetism. Comparing with ZnO whose Fermi level locates at the valence band maximum, the Fermi level of the Zn1‐xCux O shifts upward into the valence band and hence the Zn1‐xCux O system exhibits theoretically a p ‐type metallic semiconducting property. The Zn1‐xCux O system may be a potential candidate in spintronics. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) |