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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todo:paper_09270256_v10_n1-4_p440_Guevara2023-10-03T15:46:53Z The effect of spillover in the electronic and magnetic properties of Ni, Co, and Fe clusters Guevara, J. Parisi, F. Llois, A.M. Weissmann, M. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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, J. Parisi, F. Llois, A.M. Weissmann, M. 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. |
format |
JOUR |
author |
Guevara, J. Parisi, F. Llois, A.M. Weissmann, M. |
author_facet |
Guevara, J. Parisi, F. Llois, A.M. Weissmann, M. |
author_sort |
Guevara, J. |
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 |
url |
http://hdl.handle.net/20.500.12110/paper_09270256_v10_n1-4_p440_Guevara |
work_keys_str_mv |
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