The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters

We calculate the electronic structure of 3d transition-metal clusters with a model Hamiltonian that takes into account electron spillover at the cluster surface and uses bulk parameter values for the interactions. We perform calculations for fcc and bcc clusters of up to 260 atoms making use of symm...

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Detalles Bibliográficos
Autores principales: Guevara, J., Parisi, F., Llois, A.M., Weissmann, M.
Formato: JOUR
Materias:
Clusters
Ionization potential
Magnetism
Spillover
Transition metals
Cobalt
Electronic structure
Ionization
Iron
Magnetic moments
Magnetic properties
Electronic spillover
Nickel
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_09270256_v10_n1-4_p440_Guevara
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
Descripción
Sumario:We calculate the electronic structure of 3d transition-metal clusters with a model Hamiltonian that takes into account electron spillover at the cluster surface and uses bulk parameter values for the interactions. We perform calculations for fcc and bcc clusters of up to 260 atoms making use of symmetry properties. We obtain magnetic moments per shell and ionization potentials for Ni, Co, and Fe clusters starting from an spd-bulk parametrization. Copyright © 1998 Elsevier Science B.V.

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