MAGNETISM OF THE RH-13 CLUSTER

Authors
YANG JL DENG KM XIAO CY WANG KL
Citation
Jl. Yang et al., MAGNETISM OF THE RH-13 CLUSTER, Physica status solidi. b, Basic research, 195(2), 1996, pp. 549-552
Citations number
15
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physica status solidi. b, Basic research → ACNP
ISSN journal
03701972
Volume
195
Issue
2
Year of publication
1996
Pages
549 - 552
Database
ISI
SICI code
0370-1972(1996)195:2<549:MOTRC>2.0.ZU;2-4
Abstract
The electronic structure of the 13-atom Rh cluster is studied with the structure model optimized by Estiu and Zerner using the discrete vari ational 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 p revious 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 theoretical calculation close to the ex perimental measurement.