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Magnetism of the Rh13 Cluster

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成果类型:
期刊论文
作者:
Yang, JL*;Deng, KM;Xiao, CY;Wang, KL
通讯作者:
Yang, JL
作者机构:
UNIV SCI & TECHNOL CHINA,CTR FUNDAMENTAL PHYS,HEFEI 230026,ANHUI,PEOPLES R CHINA.
NANJING UNIV SCI & TECHNOL,DEPT APPL PHYS,NANJING 210014,JIANGSU,PEOPLES R CHINA.
CENT CHINA NORMAL UNIV,DEPT PHYS,WUHAN 430070,HEBEI,PEOPLES R CHINA.
[Yang, JL] ACAD SINICA,INT CTR MAT PHYS,SHENYANG 110015,PEOPLES R CHINA.
通讯机构:
[Yang, JL] A
ACAD SINICA,INT CTR MAT PHYS,SHENYANG 110015,PEOPLES R CHINA.
语种:
英文
期刊:
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
ISSN:
0370-1972
年:
1996
卷:
195
期:
2
页码:
549-552
机构署名:
本校为其他机构
院系归属:
物理科学与技术学院
摘要:
The electronic structure of the 13-atom Rh cluster is studied with the structure model optimized by Estiu and Zerner using the discrete variational local-spin density-functional method. The magnetic moment per atom of the cluster is calculated to be 0.54 mu(B), in good agreement with experimental measurements (0.48 +/- 0.13)mu(B). It confirms our previous assumption that the structural distortion of the Rh-13 cluster from a perfect icosahedron to its ground state geometry decreases its magnetic moment and makes the th...

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