Electronic and Magnetic Properties Studies on Mn and Oxygen Vacancies Codoped Anatase TiO2
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 w...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2016-01-01
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| Series: | Advances in Condensed Matter Physics |
| Online Access: | http://dx.doi.org/10.1155/2016/1562596 |
| Summary: | 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. |
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| ISSN: | 1687-8108 1687-8124 |