ELECTRONIC-PROPERTIES OF TRANSITION-METAL CLUSTERS - CONSIDERATION OFTHE SPILLOVER IN A BULK PARAMETRIZATION

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 bulk parameter values for the interactio ns. We perform calculations for fee and bcc clusters of up to 277 atom s making use of symmetry properties. We obtain magnetic moments and io nization potentials for Ni, Co, and Fe clusters, and compare with diff erent experimental results inferring that the essential features of th e electronic and magnetic properties are reproduced, starting from an spd-bulk parametrization, if a realistic approach for electron spillov er is considered.