THE EFFECT OF SPILLOVER IN THE ELECTRONIC AND MAGNETIC-PROPERTIES OF NI, CO, AND FE CLUSTERS

We calculate the electronic structure of 3d transition-metal clusters with a model Hamiltonian that takes into account electron spillover at the cluster surface and uses hulk parameter values for the interactio ns. We perform calculations for fee and bcc clusters of up to 260 atom s making use of symmetry properties. We obtain magnetic moments per sh ell and ionization potentials for Ni, Co, and Fe clusters starting fro m an spd-bulk parametrization. Copyright (C) 1998 Elsevier Science B.V .