Magnetism in small rhodium clusters under structural deformations Conference Paper uri icon

abstract

  • The effect of hydrostatic and axial 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. On the other hand, axial distortions affect the magnetism of the clusters in a more complex manner that cannot always be related in a simple way to geometrical parameters. An analysis of the paramagnetic density of states is performed in order to elucidate the physical origin of our results. © 2003 Elsevier B.V. All rights reserved.

publication date

  • 2004-01-01