Effects of the structural deformations on the magnetism of Rh 6 and Rh 13 clusters

Abstract

The effect of structural deformations on the magnetic and electronic properties of small Rh clusters was studied. The electronic properties were calculated using a self-consistent spd tight-binding Hamiltonian within the unrestricted Hartree–Fock approximation. For hydrostatic deformations, the magnetic moment of the clusters increases with bond-length in a steplike fashion. Axial distortions, on the other hand, affect the magnetism of the clusters in a more complex manner that can be correlated with the local coordination and bond length through the definition of an effective coordination number.