ELECTRONIC PROPERTIES AND MAGNETISM OF RhAND PdCLUSTERS

Jinlong Yang, F. Toigo and Kelin Wang
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Jinlong Yang: Center for Fundamental Physics, University of Science and Technology of China, Hefei, Anhui 230026, P.R. China;
F. Toigo: Dipartimento di Fisica dell’Università and Istituto Nazionale di Fisica della Materia INFM, via Marzolo 8, 35100 Padova, Italy
Kelin Wang: Center for Fundamental Physics, University of Science and Technology of China, Hefei, Anhui 230026, P.R. China

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 323-328

Abstract: The electronic structure and magnetism of Rh43, Rh55, Pd43, and Pd55clusters with possible icosahedral and octahedral geometries are studied using the discrete-variational local-spin-density functional method. All clusters are shown to have magnetic ground states. An anomalous symmetry dependence of the Rh cluster magnetism is found: the total magnetic moment of the icosahedral Rh clusters is smaller than that of the octahedral Rh clusters. The calculated moments of the Rh and Pd clusters are in good agreement with a recent experiment. The density-of-state profiles of octahedral Rh55and Pd55show the features characteristic of the bulks.

Date: 1996
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DOI: 10.1142/S0218625X96000590

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