Abstract
Possible magnetism of small palladium clusters having cubic geometry has been studied using the Gaussian orbital basis and the local spin-density approximation. Extensive calculations have been done on Pd19 clusters with face-centered-cubic symmetry by varying atomic spacing parameters. Possible magnetism of the Pd15 cluster with body-centered-cubic symmetry has also been studied. Fixed moment calculations were done to find all possible metastable states of the cluster. In addition to a nonmagnetic state, the Pd19 cluster is found to have a magnetic state with a moment of 0.32μB. The two states are very close in total energy but the magnetic state has slightly lower total energy. The Pd15 cluster is found to have only one magnetic state with a moment of 0.53μB. From our calculations, we conclude that palladium clusters are very likely to be magnetic although the magnetic moment is very small.