Electronic properties of small free Co clusters Article uri icon

abstract

  • We present a systematic study of the average magnetic moments and the non-metal-metal transition of free CoN clusters having different geometries: hexahedral, octahedral and decahedral. The electronic structure is calculated with a parameterized Hubbard Hamiltonian with spd electrons within the unrestricted Hartree-Fock approximation, and spill-over effects are considered. We compare our calculations with other theoretical calculations in the literature. We also comment on the experimental results.

publication date

  • 2000-01-01