STRUCTURAL EFFECTS ON THE MAGNETISM OF SMALL VANADIUM CLUSTERS

The size and geometric structure dependence of the magnetic properties of small V(N) clusters is studied by using a d-band Hubbard-like Hami ltonian in the unrestricted Hartree-Fock approximation. We determine t he average magnetic moment mu(N)BAR and local magnetic moments mu(i) a s a function of the interaction parameters. Different structures are c onsidered and charge transfer effects are discussed. For the considere d clusters, usually two different magnetic configurations are obtained . The role of the sp electrons and spd hybridization effects on the ma gnetic properties is calculated for bcc-like clusters. Results are giv en for the average magnetic moment, the spin-polarized charge distribu tion within the clusters, and the sp and d electronic density of state s. Small local sp magnetic moments mu(sp) are obtained, which in most cases are opposite to the d magnetic moment mu(d).