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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Autores principales: Guevara, Alejandro Javier, Parisi, Francisco Eduardo Alberto, Llois, Ana María, Weissmann, Mariana
Publicado: 1998
Materias:
Clusters
Ionization potential
Magnetism
Spillover
Transition metals
Cobalt
Electronic structure
Ionization
Iron
Magnetic moments
Magnetic properties
Electronic spillover
Nickel
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09270256_v10_n1-4_p440_Guevara
http://hdl.handle.net/20.500.12110/paper_09270256_v10_n1-4_p440_Guevara
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_09270256_v10_n1-4_p440_Guevara
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spelling paper:paper_09270256_v10_n1-4_p440_Guevara2023-06-08T15:51:49Z The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters Guevara, Alejandro Javier Parisi, Francisco Eduardo Alberto Llois, Ana María Weissmann, Mariana Clusters Ionization potential Magnetism Spillover Transition metals Cobalt Electronic structure Ionization Iron Magnetic moments Magnetic properties Clusters Electronic spillover Ionization potential Nickel 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. Fil:Guevara, J. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Parisi, F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Llois, A.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Weissmann, M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 1998 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09270256_v10_n1-4_p440_Guevara http://hdl.handle.net/20.500.12110/paper_09270256_v10_n1-4_p440_Guevara
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Clusters
Ionization potential
Magnetism
Spillover
Transition metals
Cobalt
Electronic structure
Ionization
Iron
Magnetic moments
Magnetic properties
Clusters
Electronic spillover
Ionization potential
Nickel
spellingShingle Clusters
Ionization potential
Magnetism
Spillover
Transition metals
Cobalt
Electronic structure
Ionization
Iron
Magnetic moments
Magnetic properties
Clusters
Electronic spillover
Ionization potential
Nickel
Guevara, Alejandro Javier
Parisi, Francisco Eduardo Alberto
Llois, Ana María
Weissmann, Mariana
The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
topic_facet Clusters
Ionization potential
Magnetism
Spillover
Transition metals
Cobalt
Electronic structure
Ionization
Iron
Magnetic moments
Magnetic properties
Clusters
Electronic spillover
Ionization potential
Nickel
description 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.
author Guevara, Alejandro Javier
Parisi, Francisco Eduardo Alberto
Llois, Ana María
Weissmann, Mariana
author_facet Guevara, Alejandro Javier
Parisi, Francisco Eduardo Alberto
Llois, Ana María
Weissmann, Mariana
author_sort Guevara, Alejandro Javier
title The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
title_short The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
title_full The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
title_fullStr The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
title_full_unstemmed The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters
title_sort effect of spillover in the electronic and magnetic properties of ni, co, and fe clusters
publishDate 1998
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09270256_v10_n1-4_p440_Guevara
http://hdl.handle.net/20.500.12110/paper_09270256_v10_n1-4_p440_Guevara
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