Magnetism in Rh clusters under hydrostatic deformations

Abstract: The magnetic behavior of rhodium clusters RhN (N = 4-38) under hydrostatic deformations was investigated. The starting cluster structures were obtained from an evolutionary search algorithm applied to a Gupta potential. The spin-polarized electronic structure and related magnetic properties were calculated using a self-consistent spd tight-binding Hamiltonian within the unrestricted Hartree-Fock approximation. The magnetic behavior was analyzed in terms of the interdependence between the geometrical parameters and the electronic structure. Anomalous magnetic effects were found in some cases.