Magnetic properties of icosahedral MRu12 clusters
文献类型：期刊论文
| 作者 | K. M. Deng ; J. L. Yang ; C. Y. Xiao ; K. L. Wang |
| 刊名 | Journal of Physics-Condensed Matter
 |
| 出版日期 | 1997 |
| 卷号 | 9期号:23页码:4925-4930 |
| 关键词 | electronic-structure rhodium clusters metal-clusters stability molecules symmetry moments iron al |
| ISSN号 | 0953-8984 |
| 中文摘要 | The magnetic properties of icosahedral MRu12 clusters are studied using the discrete-variational local-spin-density-functional method, where M = V, Cr, Mn, Fe, Co, and Ni. The results show that all of the I-h MRu12 clusters, just like the case for the I-h Ru-13 cluster, have double magnetic solutions. In contrast to the moment of 4 mu(B) for the I-h Ru-13 cluster, the total magnetic moments of the I-h MRu12 clusters, ranging from 1 mu(B) to 20 mu B, have been changed greatly by the substitution of the central Ru atom with M. Among them, the NiRu12 cluster has a giant moment of 20 mu(B). Furthermore, the NiRu12 cluster has nondegenerate ground state and could be expected to be remarkably stable. Therefore, for the purpose of enhancing the magnetic moment of the I-h Ru-13 cluster, Ni is a promising candidate as a dopant. Finally, we predict that all the I-h MRu12 clusters except NiRu12 might belong to the class in which the magnetization of the cluster increases with temperature. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/37949]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | K. M. Deng,J. L. Yang,C. Y. Xiao,et al. Magnetic properties of icosahedral MRu12 clusters[J]. Journal of Physics-Condensed Matter,1997,9(23):4925-4930. |
| APA | K. M. Deng,J. L. Yang,C. Y. Xiao,&K. L. Wang.(1997).Magnetic properties of icosahedral MRu12 clusters.Journal of Physics-Condensed Matter,9(23),4925-4930. |
| MLA | K. M. Deng,et al."Magnetic properties of icosahedral MRu12 clusters".Journal of Physics-Condensed Matter 9.23(1997):4925-4930. |
入库方式： OAI收割
来源：金属研究所
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