Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen

Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the 3d series. The effect of O doping is to bring extended Au 5dxz and 5dyz states to the Fermi level,...

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Detalles Bibliográficos
Autores: Barral, María Andrea, Di Napoli, Solange Mariel, Blesio, Germán Gabriel, Roura Bas, Pablo Gines, Camjayi, Alberto, Manuel, Luis Oscar, Aligia, Armando Ángel
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2017
País:Argentina
Institución:Consejo Nacional de Investigaciones Científicas y Técnicas
Repositorio:CONICET Digital (CONICET)
Idioma:inglés
OAI Identifier:oai:ri.conicet.gov.ar:11336/40942
Acceso en línea:http://hdl.handle.net/11336/40942
Access Level:acceso abierto
Palabra clave:ATOMIC CHAINS
ELECTRONIC TRANSPORT
KONDO PHYSICS
AB INITIO CALCULATIONS
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
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network_name_str Argentina
repository_id_str
dc.title.none.fl_str_mv Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
spellingShingle Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
Barral, María Andrea
ATOMIC CHAINS
ELECTRONIC TRANSPORT
KONDO PHYSICS
AB INITIO CALCULATIONS
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
title_short Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_full Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_fullStr Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_full_unstemmed Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
title_sort Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen
dc.creator.none.fl_str_mv Barral, María Andrea
Di Napoli, Solange Mariel
Blesio, Germán Gabriel
Roura Bas, Pablo Gines
Camjayi, Alberto
Manuel, Luis Oscar
Aligia, Armando Ángel
author Barral, María Andrea
author_facet Barral, María Andrea
Di Napoli, Solange Mariel
Blesio, Germán Gabriel
Roura Bas, Pablo Gines
Camjayi, Alberto
Manuel, Luis Oscar
Aligia, Armando Ángel
author_role author
author2 Di Napoli, Solange Mariel
Blesio, Germán Gabriel
Roura Bas, Pablo Gines
Camjayi, Alberto
Manuel, Luis Oscar
Aligia, Armando Ángel
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv ATOMIC CHAINS
ELECTRONIC TRANSPORT
KONDO PHYSICS
AB INITIO CALCULATIONS
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
topic ATOMIC CHAINS
ELECTRONIC TRANSPORT
KONDO PHYSICS
AB INITIO CALCULATIONS
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
description Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the 3d series. The effect of O doping is to bring extended Au 5dxz and 5dyz states to the Fermi level, which together with the Au states of zero angular momentum projection leads to three possible channels for the screening of the magnetism of the impurity. For most 3d impurities the expected physics is similar to that of the underscreened Kondo model, with singular Fermi liquid behavior. For Fe and Co under a tetragonal crystal field introduced by leads, the system might display a non-Fermi liquid behavior. Ni and Cu impurities are described by a S = 1 two channel Kondo model and an SU(4) impurity Anderson model in the intermediate valence regime, respectively. In both cases, the system is a Fermi liquid, but the conductance shows some observable differences with the ordinary SU(2) Anderson model.
publishDate 2017
dc.date.none.fl_str_mv 2017-01
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/11336/40942
Barral, María Andrea; Di Napoli, Solange Mariel; Blesio, Germán Gabriel; Roura Bas, Pablo Gines; Camjayi, Alberto; et al.; Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen; American Institute of Physics; Journal of Chemical Physics; 146; 9; 1-2017; 1-9; 092315
0021-9606
CONICET Digital
CONICET
url http://hdl.handle.net/11336/40942
identifier_str_mv Barral, María Andrea; Di Napoli, Solange Mariel; Blesio, Germán Gabriel; Roura Bas, Pablo Gines; Camjayi, Alberto; et al.; Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen; American Institute of Physics; Journal of Chemical Physics; 146; 9; 1-2017; 1-9; 092315
0021-9606
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4973982
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.4973982
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
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
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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spelling Kondo behavior and conductance through 3d impurities in gold chains doped with oxygenBarral, María AndreaDi Napoli, Solange MarielBlesio, Germán GabrielRoura Bas, Pablo GinesCamjayi, AlbertoManuel, Luis OscarAligia, Armando ÁngelATOMIC CHAINSELECTRONIC TRANSPORTKONDO PHYSICSAB INITIO CALCULATIONShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the 3d series. The effect of O doping is to bring extended Au 5dxz and 5dyz states to the Fermi level, which together with the Au states of zero angular momentum projection leads to three possible channels for the screening of the magnetism of the impurity. For most 3d impurities the expected physics is similar to that of the underscreened Kondo model, with singular Fermi liquid behavior. For Fe and Co under a tetragonal crystal field introduced by leads, the system might display a non-Fermi liquid behavior. Ni and Cu impurities are described by a S = 1 two channel Kondo model and an SU(4) impurity Anderson model in the intermediate valence regime, respectively. In both cases, the system is a Fermi liquid, but the conductance shows some observable differences with the ordinary SU(2) Anderson model.Fil: Barral, María Andrea. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Di Napoli, Solange Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Blesio, Germán Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Roura Bas, Pablo Gines. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Camjayi, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Física de Buenos Aires. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Física de Buenos Aires; ArgentinaFil: Manuel, Luis Oscar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Aligia, Armando Ángel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaAmerican Institute of Physics2017-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/40942Barral, María Andrea; Di Napoli, Solange Mariel; Blesio, Germán Gabriel; Roura Bas, Pablo Gines; Camjayi, Alberto; et al.; Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen; American Institute of Physics; Journal of Chemical Physics; 146; 9; 1-2017; 1-9; 0923150021-9606CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1063/1.4973982info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.4973982info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2024-05-08T14:12:35Zoai:ri.conicet.gov.ar:11336/40942instacron: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:34982024-05-08 14:12:36.203CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
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