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Advances in Condensed Matter Physics
Volume 2016, Article ID 1562596, 7 pages
Research Article

Electronic and Magnetic Properties Studies on Mn and Oxygen Vacancies Codoped Anatase TiO2

1College of Physics and Material Science, Henan Normal University, Xinxiang 453007, China
2Henan Key Laboratory of Photovoltaic Materials, Xinxiang 453007, China
3Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072, China
4College of Electronic and Electrical Engineering, Henan Normal University, Henan 453007, China

Received 11 June 2016; Accepted 23 August 2016

Academic Editor: Jörg Fink

Copyright © 2016 Zhongpo Zhou et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The electronic and magnetic properties of Mn and oxygen vacancies codoped anatase TiO2 were investigated. The calculated results showed that the TiO2 codoped with Mn and oxygen vacancies have a magnetic moment value of 3.415  per Ti31MnO63 supercell. Furthermore, Ti31MnO63 gets the lowest energy with a geometrical optimization where the Mn ions locate at the nearest-neighbor sites of the oxygen vacancy. And experimental results indicated the magnetism is associated with the defects of Mn ions and oxygen vacancies induced by the Mn doping, which is consistent with the calculation results.