ELECTRONIC AND MAGNETIC-PROPERTIES OF EMBEDDED RH CLUSTERS IN NI MATRIX

被引:4
作者
LI, ZQ [1 ]
HASHI, Y [1 ]
YU, JZ [1 ]
OHNO, K [1 ]
KAWAZOE, Y [1 ]
机构
[1] HITACHI TOHOKU SOFTWARE LTD, CTR RES & DEV, SENDAI, MIYAGI 980, JAPAN
关键词
D O I
10.1088/0953-8984/7/37/009
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The electronic structure and magnetic properties of rhodium clusters with sizes of one to 43 atoms embedded in a nickel host are studied by first-principles spin-polarized calculations within the local density functional formalism. A single Rh atom in Ni matrix is found to have a magnetic moment of 0.45 mu(B). Rh-13 and Rh-19 clusters in Ni matrix have lower magnetic moments compared with the free ones. The most interesting finding is that Rh-43 cluster, which is bulk-like and non-magnetic in vacuum, becomes ferromagnetic when embedded in the nickel host.
引用
收藏
页码:7367 / 7372
页数:6
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