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

Zhongpo Zhou; Xinwei Yang; Haiying Wang; Zhaorui Zou; Jingjing Guo

doi:10.1155/2016/1562596

Advances in Condensed Matter Physics (Jan 2016)

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

Zhongpo Zhou,
Xinwei Yang,
Haiying Wang,
Zhaorui Zou,
Jingjing Guo

Affiliations

Zhongpo Zhou: College of Physics and Material Science, Henan Normal University, Xinxiang 453007, China
Xinwei Yang: College of Electronic and Electrical Engineering, Henan Normal University, Henan 453007, China
Haiying Wang: College of Physics and Material Science, Henan Normal University, Xinxiang 453007, China
Zhaorui Zou: College of Physics and Material Science, Henan Normal University, Xinxiang 453007, China
Jingjing Guo: College of Physics and Material Science, Henan Normal University, Xinxiang 453007, China

DOI: https://doi.org/10.1155/2016/1562596
Journal volume & issue: Vol. 2016

Abstract

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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 μB 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.

Published in Advances in Condensed Matter Physics

ISSN: 1687-8108 (Print); 1687-8124 (Online)
Publisher: Hindawi Limited
Country of publisher: United Kingdom
LCC subjects: Science: Physics
Website: https://onlinelibrary.wiley.com/journal/4042

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