First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires
文献类型：期刊论文
| 作者 | Shi HL ; Duan YF |
| 刊名 | nanoscale research letters
 |
| 出版日期 | 2009 |
| 卷号 | 4期号:5页码:480-484 |
| 关键词 | First-principles Transition-metals Formation energies Nanowires Magnetism |
| ISSN号 | 1931-7573 |
| 通讯作者 | shi hl chinese acad sci inst semicond state key lab superlattices & microstruct pob 912 beijing 100083 peoples r china. e-mail address: hlshi@semi.ac.cn ; yifeng@semi.ac.cn |
| 中文摘要 | the defect formation energies of transition metals (cr, fe, and ni) doped in the pseudo-h passivated zno nanowires and bulk are systematically investigated using first-principles methods. the general chemical trends of the nanowires are similar to those of the bulk. we also show that the formation energy increases as the diameter of the nanowire decreases, indicating that the doping of magnetic ions in the zno nanowire becomes more difficult with decreasing diameter. we also systematically calculate the ferromagnetic properties of transition metals doped in the zno nanowire and bulk, and find that cr ions of the nanowire favor ferromagnetic state, which is consistent with the experimental results. we also find that the ferromagnetic coupling state of cr is more stable in the nanowire than in the bulk, which may lead to a higher t (c) useful for the nano-materials design of spintronics. |
| 学科主题 | 半导体物理 |
| 收录类别 | SCI |
| 资助信息 | national basic research program of china g2009cb929300 national natural science foundation of china 60521001 60776061this work was supported by the national basic research program of china ( 973 program) grant no. g2009cb929300 and the national natural science foundation of china under grant nos. 60521001 and 60776061. part of the cpu time was performed in supercomputing center, chinese academy of sciences. |
| 语种 | 英语 |
| 公开日期 | 2010-03-08 |
| 源URL | [http://ir.semi.ac.cn/handle/172111/7289]  |
| 专题 | 半导体研究所_中国科学院半导体研究所（2009年前） |
| 推荐引用方式 GB/T 7714 | Shi HL,Duan YF. First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires[J]. nanoscale research letters,2009,4(5):480-484. |
| APA | Shi HL,&Duan YF.(2009).First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires.nanoscale research letters,4(5),480-484. |
| MLA | Shi HL,et al."First-Principles Study of Magnetic Properties of 3d Transition Metals Doped in ZnO Nanowires".nanoscale research letters 4.5(2009):480-484. |
入库方式： OAI收割
来源：半导体研究所
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