Chiral structures and tunable magnetic moments in 3d transition metal doped Pt-6 clusters
文献类型：期刊论文
| 作者 | Zhang Xiu-Rong1; Yang Xing2; Ding Xun-Lei3 |
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2012-09-01 |
| 卷号 | 21期号:9 |
| 关键词 | Alloy Clusters Chiral Structure Stability Magnetic Property |
| ISSN号 | 1674-1056 |
| DOI | 10.1088/1674-1056/21/9/093601 |
| 英文摘要 | The structural, electronic, and magnetic properties of transition metal doped platinum clusters MPt6 (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) are systematically studied by using the relativistic all-electron density functional theory with the generalized gradient approximation. Most of the doped clusters show larger binding energies than the pure Pt-7 cluster, which indicates that the doping of the transition metal atom can stabilize the pure platinum cluster. The results of the highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps suggest that the doped clusters can have higher chemical activities than the pure Pt-7 cluster. The magnetism calculations demonstrate that the variation range of the magnetic moments of the MPt6 clusters is from 0 mu(B) to 7 mu(B), revealing that the MPt6 clusters have potential utility in designing new spintronic nanomaterials with tunable magnetic properties. |
| 语种 | 英语 |
| WOS记录号 | WOS:000308870300030 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/48721]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang Xiu-Rong |
| 作者单位 | 1.Jiangsu Univ Sci & Technol, Sch Math & Phys, Zhenjiang 212003, Peoples R China 2.Jiangsu Univ Sci & Technol, Sch Mat Sci & Engn, Zhenjiang 212003, Peoples R China 3.Chinese Acad Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang Xiu-Rong,Yang Xing,Ding Xun-Lei. Chiral structures and tunable magnetic moments in 3d transition metal doped Pt-6 clusters[J]. CHINESE PHYSICS B,2012,21(9). |
| APA | Zhang Xiu-Rong,Yang Xing,&Ding Xun-Lei.(2012).Chiral structures and tunable magnetic moments in 3d transition metal doped Pt-6 clusters.CHINESE PHYSICS B,21(9). |
| MLA | Zhang Xiu-Rong,et al."Chiral structures and tunable magnetic moments in 3d transition metal doped Pt-6 clusters".CHINESE PHYSICS B 21.9(2012). |
入库方式： OAI收割
来源：化学研究所
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