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
Ulrich Sperhake 2007 J. Phys.: Conf. Ser. 66 012049
L Ju et al 2009 J. Opt. A: Pure Appl. Opt. 11 125205
Camille Strozzi et al 2009 Meas. Sci. Technol. 20 125403
Masaru Ikehata and Hiromichi Itou 2009 Inverse Problems 25 105005
J Wen et al 2007 J. Phys.: Condens. Matter 19 455211
Qiangfei Xia and Stephen Y Chou 2008 Nanotechnology 19 455301
R Nigmatullin and S G Schirmer 2009 New J. Phys. 11 105032
Håkan Andréasson et al 2009 Class. Quantum Grav. 26 145003
Wei-Lian Qu et al 2009 Smart Mater. Struct. 18 125003