Electronic properties and magnetism of Rh and Pd clusters

The electronic structure and magnetism of Rh-43, Rh-55 Pd-43, and Pd-55 clusters 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 Rh-55 and Pd-55 show the features characteristic of the bulks.