Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/31496
Title: Origin of unexpected magnetism in Cu-doped TiO2
Authors: Li, QK
Wang, B
Woo, CH 
Wang, H
Zhu, ZY
Wang, R
Issue Date: 2008
Publisher: EDP Sciences
Source: EPL : a letters journal exploring the frontiers of physics, 2008, v. 81, no. 1, 17004 How to cite?
Journal: EPL : a letters journal exploring the frontiers of physics 
Abstract: Cu-doped TiO2 has recently been found to exhibit unexpected room temperature ferromagnetism. In the present work, possible defect structures and the associated magnetism are calculated within the generalized gradient approximation using the projector augmented wave method (PAW). In particular, structures of the vacancy-Cu impurity complex are studied. Our results show that the magnetism is caused by: 1) the hybridization of p-d orbitals between the Cu and O ions, and 2) the spin polarization of the 3d orbital of Cu and of the 2p orbital of O ions.
URI: http://hdl.handle.net/10397/31496
ISSN: 0295-5075
EISSN: 1286-4854
DOI: 10.1209/0295-5075/81/17004
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