Qinghua Liu et al 2009 J. Phys.: Conf. Ser. 190 012107 doi:10.1088/1742-6596/190/1/012107
Qinghua Liu, Yong Jiang, Wensheng Yan, Zhihu Sun, Zhiyun Pan, Tao Yao, Ziyu Wu and Shiqiang Wei
Show affiliationsThe x-ray absorption near-edge structure (XANES) and first-principles calculations were employed to study the local structure and magnetic origin of Co-doped rutile TiO2 thin film. It is found that the experimental Co K-edge XANES can be reproduced by the calculated spectrum of substitutional Co (CoTi) with O vacancy (VO), suggesting the coexistence of CoTi and VO in this system. First-principles total energy calculations further reveal that the O vacancy prefers to reside near the Co ion and substantially facilitates the impurity doping. The electronic structure analysis indicates that the O vacancy can mediate the ferromagnetic interaction between the CoTi ions and thus is responsible for the observed room-temperature ferromagnetism in the Co-doped TiO2-δ thin films.
68.55.Ln Defects and impurities: doping, implantation, distribution, concentration, etc.
71.20.Nr Semiconductor compounds
61.72.J- Point defects and defect clusters
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Condensed matter: electrical, magnetic and optical
Issue 1 (2009)
Qinghua Liu et al 2009 J. Phys.: Conf. Ser. 190 012107
S B Bubenhofer et al 2009 Nanotechnology 20 485302
F Farges et al 2009 J. Phys.: Conf. Ser. 190 012177
I A Ivanov and A S Kheifets 2009 J. Phys. B: At. Mol. Opt. Phys. 42 145601
Wang Wei et al 2009 Chinese Phys. Lett. 26 114205
Dirk Dodt et al 2008 J. Phys. D: Appl. Phys. 41 205207
Bernd Hofmann et al 2009 Inverse Problems 25 115013
Lei Zhang et al 2009 J. Phys. A: Math. Theor. 42 475003
T Serin et al 2009 J. Phys. D: Appl. Phys. 42 225108
V L Krasovsky 2009 Plasma Phys. Control. Fusion 51 115011