Magnetic properties of icosahedral MRu12 clusters

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	Magnetic properties of icosahedral MRu12 clusters
	K. M. Deng; J. L. Yang; C. Y. Xiao; K. L. Wang
	1997
发表期刊	Journal of Physics-Condensed Matter
ISSN	0953-8984
卷号	9 期号:23 页码:4925-4930
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.
部门归属	cent china normal univ,dept phys,wuhan 430070,hubei,peoples r china. acad sinica,int ctr mat phys,shenyang 110015,peoples r china. nanjing univ sci & technol,dept appl phys,nanjing 210014,peoples r china. univ sci & technol china,ctr fundamental phys,hefei 230026,anhui,peoples r china. cent china normal univ,dept phys,wuhan,hubei,peoples r china.
关键词	Electronic-structure Rhodium Clusters Metal-clusters Stability Molecules Symmetry Moments Iron Al
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/37949
专题	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.