Origin of ferromagnetism in aluminum-doped TiO2 thin films: Theory and experiments
文献类型：期刊论文
| 作者 | Wang, XJ ; Song, YL ; Tao, LL ; Feng, JF ; Sui, Y ; Tang, JK ; Song, B ; Wang, Y ; Wang, Y ; Zhang, Y ; Han, XF |
| 刊名 | APPLIED PHYSICS LETTERS
 |
| 出版日期 | 2014 |
| 卷号 | 105期号:26 |
| ISSN号 | 0003-6951 |
| 通讯作者 | Sui, Y (reprint author), Harbin Inst Technol, Dept Phys, Harbin 150001, Peoples R China. |
| 中文摘要 | In this paper, we combine first-principles calculations and experiments to investigate the magnetic properties of aluminum-doped TiO2 films of rutile structure. Density-functional theory with generalized gradient approximation based calculations were carried out for three cases, where the TiO2 lattice contains oxygen vacancies V-O only, an oxygen is substituted by a fluorine atom, or a Ti is substituted by an aluminum. Magnetic moments associated with the formation of Ti3+ ions are found in all cases but they couple differently resulting in different magnetic states. Al-doped samples prepared in our labs exhibit ferromagnetism at room temperature with a T-C near 340 K. The experimental results are consistent with the first principles calculations, and the magnetism is associated with the V-O defect electrons induced by the Al doping. The defect electron occupies nearby Ti sites giving rise to the Ti3+ moments and, at the same time, has spatially extended wavefunctions assuring overlapping between neighbors. (C) 2014 AIP Publishing LLC. |
| 资助信息 | National Natural Science Foundation of China [51472064, 51172055, 51372056, 51021061]; NSF [DMR-0852862, CBET-0754821]; UW SER; U.S. Department of Energy, office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-10ER46728]; Program for Innovation Research of Science in Harbin Institute of Technology [PIRS of HIT A201413] |
| 语种 | 英语 |
| 公开日期 | 2015-04-14 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/58871]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, XJ,Song, YL,Tao, LL,et al. Origin of ferromagnetism in aluminum-doped TiO2 thin films: Theory and experiments[J]. APPLIED PHYSICS LETTERS,2014,105(26). |
| APA | Wang, XJ.,Song, YL.,Tao, LL.,Feng, JF.,Sui, Y.,...&Han, XF.(2014).Origin of ferromagnetism in aluminum-doped TiO2 thin films: Theory and experiments.APPLIED PHYSICS LETTERS,105(26). |
| MLA | Wang, XJ,et al."Origin of ferromagnetism in aluminum-doped TiO2 thin films: Theory and experiments".APPLIED PHYSICS LETTERS 105.26(2014). |
入库方式： OAI收割
来源：物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。