On the metallic behavior of Co clusters
- Aguilera Granja, F.
- Montejano Carrizales, J.M.
- Guevara, J.
- Llois, Ana Maria
DOIAbstract
The role of structure in the nonmetal–metal transition of Co clusters is investigated by performing calculations for different symmetries: hexahedral, octahedral and decahedral. This transition occurs when the density of states at the Fermi level exceeds 1/kBT and the discrete energy levels begin to form a quasi-continuous band. The electronic structure is calculated including spd orbitals and spillover effects in a Hubbard Hamiltonian solved within the unrestricted Hartree–Fock approximation. We find that in small clusters (N≤40) the metallic behavior is strongly related to the geometrical structure of the cluster. We compare our results with those coming out of a simple Friedel's model.Fil: Aguilera Granja, F.. Universidad Autónoma de San...
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