On the metallic behavior of Co clusters

Autores
Aguilera Granja, F.; Montejano Carrizales, J.M.; Guevara, J.; Llois, Ana Maria
Año de publicación
1999
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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 Luis Potosı́; Macao
Fil: Montejano Carrizales, J.M.. Universidad Autónoma de San Luis Potosı́; Macao
Fil: Guevara, J.. Boston University; Estados Unidos
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
Materia
Insulators
Metals
Nanostructures
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/71654
Acceder
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network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling On the metallic behavior of Co clustersAguilera Granja, F.Montejano Carrizales, J.M.Guevara, J.Llois, Ana MariaInsulatorsMetalsNanostructureshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The 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 Luis Potosı́; MacaoFil: Montejano Carrizales, J.M.. Universidad Autónoma de San Luis Potosı́; MacaoFil: Guevara, J.. Boston University; Estados UnidosFil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; ArgentinaPergamon-Elsevier Science Ltd1999-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/71654Aguilera Granja, F.; Montejano Carrizales, J.M.; Guevara, J.; Llois, Ana Maria; On the metallic behavior of Co clusters; Pergamon-Elsevier Science Ltd; Solid State Communications; 113; 3; 12-1999; 147-1510038-1098CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0038109899004603info:eu-repo/semantics/altIdentifier/doi/10.1016/S0038-1098(99)00460-3info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-11-05T10:09:11Zoai:ri.conicet.gov.ar:11336/71654instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-11-05 10:09:11.28CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the metallic behavior of Co clusters
title On the metallic behavior of Co clusters
spellingShingle On the metallic behavior of Co clusters
Aguilera Granja, F.
Insulators
Metals
Nanostructures
title_short On the metallic behavior of Co clusters
title_full On the metallic behavior of Co clusters
title_fullStr On the metallic behavior of Co clusters
title_full_unstemmed On the metallic behavior of Co clusters
title_sort On the metallic behavior of Co clusters
dc.creator.none.fl_str_mv Aguilera Granja, F.
Montejano Carrizales, J.M.
Guevara, J.
Llois, Ana Maria
author Aguilera Granja, F.
author_facet Aguilera Granja, F.
Montejano Carrizales, J.M.
Guevara, J.
Llois, Ana Maria
author_role author
author2 Montejano Carrizales, J.M.
Guevara, J.
Llois, Ana Maria
author2_role author
author
author
dc.subject.none.fl_str_mv Insulators
Metals
Nanostructures
topic Insulators
Metals
Nanostructures
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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 Luis Potosı́; Macao
Fil: Montejano Carrizales, J.M.. Universidad Autónoma de San Luis Potosı́; Macao
Fil: Guevara, J.. Boston University; Estados Unidos
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
description 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.
publishDate 1999
dc.date.none.fl_str_mv 1999-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/71654
Aguilera Granja, F.; Montejano Carrizales, J.M.; Guevara, J.; Llois, Ana Maria; On the metallic behavior of Co clusters; Pergamon-Elsevier Science Ltd; Solid State Communications; 113; 3; 12-1999; 147-151
0038-1098
CONICET Digital
CONICET
url http://hdl.handle.net/11336/71654
identifier_str_mv Aguilera Granja, F.; Montejano Carrizales, J.M.; Guevara, J.; Llois, Ana Maria; On the metallic behavior of Co clusters; Pergamon-Elsevier Science Ltd; Solid State Communications; 113; 3; 12-1999; 147-151
0038-1098
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0038109899004603
info:eu-repo/semantics/altIdentifier/doi/10.1016/S0038-1098(99)00460-3
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
publisher.none.fl_str_mv Pergamon-Elsevier Science Ltd
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.087074

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