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, Hongliang1; Duan, Yifeng2 |
| 刊名 | Nanoscale research letters
 |
| 出版日期 | 2009-05-01 |
| 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 |
| DOI | 10.1007/s11671-009-9260-7 |
| 通讯作者 | Shi, hongliang(hlshi@semi.ac.cn) |
| 英文摘要 | 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. |
| WOS关键词 | SEMICONDUCTOR NANOCRYSTALS ; 1ST PRINCIPLES ; BAND-STRUCTURE ; FERROMAGNETISM ; MODEL |
| WOS研究方向 | Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS类目 | Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied |
| 语种 | 英语 |
| WOS记录号 | WOS:000264487800013 |
| 出版者 | SPRINGER |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2427769 |
| 专题 | 半导体研究所 |
| 通讯作者 | Shi, Hongliang |
| 作者单位 | 1.Chinese Acad Sci, Inst Semicond, State Key Lab Superlattices & Microstruct, Beijing 100083, Peoples R China 2.China Univ Min & Technol, Sch Sci, Dept Phys, Xuzhou 221008, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shi, Hongliang,Duan, Yifeng. 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, Hongliang,&Duan, Yifeng.(2009).First-principles study of magnetic properties of 3d transition metals doped in zno nanowires.Nanoscale research letters,4(5),480-484. |
| MLA | Shi, Hongliang,et al."First-principles study of magnetic properties of 3d transition metals doped in zno nanowires".Nanoscale research letters 4.5(2009):480-484. |
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来源：半导体研究所
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