Effects of the structural deformations on the magnetism of Rh6 and Rh13 clusters Article uri icon

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. © 2003 Elsevier B.V. All rights reserved.

publication date

  • 2003-01-01