文章基本信息

标题：Electronic and Magnetic Properties Studies on Mn and Oxygen Vacancies Codoped Anatase TiO2
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作者：Zhongpo Zhou ; Xinwei Yang ; Haiying Wang 等
期刊名称：Advances in Condensed Matter Physics
印刷版ISSN：1687-8108
电子版ISSN：1687-8124
出版年度：2016
卷号：2016
DOI：10.1155/2016/1562596
出版社：Hindawi Publishing Corporation
摘要：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.