Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)

Autores
Fernández, Joaquín; Aligia, Armando Ángel; Lobos, Alejandro Martin
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We study theoretically a square lattice of the organometallic Kondo adsorbate iron(II) phtalocyanine (FePc) deposited on top of Au(111), motivated by recent scanning tunneling microscopy experiments. We describe the system by means of an effective Hubbard-Anderson model, where each molecule has degenerate effective d-orbitals with xz and yz symmetry, which we solve for arbitrary occupation and arbitrary on-site repulsion U. To that end, we introduce a generalized slave-boson mean-field approximation (SBMFA) which correctly describes both the non-interacting limit (NIL) U = 0 and the strongly interacting limit U → ∞, where our formalism reproduces the correct value of the Kondo temperature for an isolated FePc molecule. Our results indicate that while the isolated molecule can be described by an SU(4) Anderson model in the Kondo regime, the case of the square lattice corresponds to the intermediate-valence regime, with a total occupation of nearly 1.65 holes in the FePc molecular orbitals. Our results have important implications for the physical interpretation of the experiment.
Fil: Fernández, Joaquín. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Aligia, Armando Ángel. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Lobos, Alejandro Martin. 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; Argentina
Materia
Valence fluctuations
scanning tunneling microscopy
magnetic molecules
Kondo effect
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:11336/127086
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)Fernández, JoaquínAligia, Armando ÁngelLobos, Alejandro MartinValence fluctuationsscanning tunneling microscopymagnetic moleculesKondo effecthttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1We study theoretically a square lattice of the organometallic Kondo adsorbate iron(II) phtalocyanine (FePc) deposited on top of Au(111), motivated by recent scanning tunneling microscopy experiments. We describe the system by means of an effective Hubbard-Anderson model, where each molecule has degenerate effective d-orbitals with xz and yz symmetry, which we solve for arbitrary occupation and arbitrary on-site repulsion U. To that end, we introduce a generalized slave-boson mean-field approximation (SBMFA) which correctly describes both the non-interacting limit (NIL) U = 0 and the strongly interacting limit U → ∞, where our formalism reproduces the correct value of the Kondo temperature for an isolated FePc molecule. Our results indicate that while the isolated molecule can be described by an SU(4) Anderson model in the Kondo regime, the case of the square lattice corresponds to the intermediate-valence regime, with a total occupation of nearly 1.65 holes in the FePc molecular orbitals. Our results have important implications for the physical interpretation of the experiment.Fil: Fernández, Joaquín. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Aligia, Armando Ángel. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Lobos, Alejandro Martin. 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; ArgentinaEurophysics Letters2015-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/127086Fernández, Joaquín; Aligia, Armando Ángel; Lobos, Alejandro Martin; Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111); Europhysics Letters; Europhysics Letters; 109; 3; 2-2015; 37011-370180295-5075CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/0295-5075/109/3/37011?rel=sem&relno=1info:eu-repo/semantics/altIdentifier/doi/10.1209/0295-5075/109/37011info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:17:59Zoai:ri.conicet.gov.ar:11336/127086instacron: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:34982025-09-29 10:17:59.349CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
title Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
spellingShingle Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
Fernández, Joaquín
Valence fluctuations
scanning tunneling microscopy
magnetic molecules
Kondo effect
title_short Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
title_full Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
title_fullStr Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
title_full_unstemmed Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
title_sort Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111)
dc.creator.none.fl_str_mv Fernández, Joaquín
Aligia, Armando Ángel
Lobos, Alejandro Martin
author Fernández, Joaquín
author_facet Fernández, Joaquín
Aligia, Armando Ángel
Lobos, Alejandro Martin
author_role author
author2 Aligia, Armando Ángel
Lobos, Alejandro Martin
author2_role author
author
dc.subject.none.fl_str_mv Valence fluctuations
scanning tunneling microscopy
magnetic molecules
Kondo effect
topic Valence fluctuations
scanning tunneling microscopy
magnetic molecules
Kondo effect
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We study theoretically a square lattice of the organometallic Kondo adsorbate iron(II) phtalocyanine (FePc) deposited on top of Au(111), motivated by recent scanning tunneling microscopy experiments. We describe the system by means of an effective Hubbard-Anderson model, where each molecule has degenerate effective d-orbitals with xz and yz symmetry, which we solve for arbitrary occupation and arbitrary on-site repulsion U. To that end, we introduce a generalized slave-boson mean-field approximation (SBMFA) which correctly describes both the non-interacting limit (NIL) U = 0 and the strongly interacting limit U → ∞, where our formalism reproduces the correct value of the Kondo temperature for an isolated FePc molecule. Our results indicate that while the isolated molecule can be described by an SU(4) Anderson model in the Kondo regime, the case of the square lattice corresponds to the intermediate-valence regime, with a total occupation of nearly 1.65 holes in the FePc molecular orbitals. Our results have important implications for the physical interpretation of the experiment.
Fil: Fernández, Joaquín. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Aligia, Armando Ángel. Comisión Nacional de Energía Atómica. Gerencia del Área Investigaciones y Aplicaciones No Nucleares. Gerencia de Física (CAB). Grupo de Teoría de Sólidos; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Lobos, Alejandro Martin. 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; Argentina
description We study theoretically a square lattice of the organometallic Kondo adsorbate iron(II) phtalocyanine (FePc) deposited on top of Au(111), motivated by recent scanning tunneling microscopy experiments. We describe the system by means of an effective Hubbard-Anderson model, where each molecule has degenerate effective d-orbitals with xz and yz symmetry, which we solve for arbitrary occupation and arbitrary on-site repulsion U. To that end, we introduce a generalized slave-boson mean-field approximation (SBMFA) which correctly describes both the non-interacting limit (NIL) U = 0 and the strongly interacting limit U → ∞, where our formalism reproduces the correct value of the Kondo temperature for an isolated FePc molecule. Our results indicate that while the isolated molecule can be described by an SU(4) Anderson model in the Kondo regime, the case of the square lattice corresponds to the intermediate-valence regime, with a total occupation of nearly 1.65 holes in the FePc molecular orbitals. Our results have important implications for the physical interpretation of the experiment.
publishDate 2015
dc.date.none.fl_str_mv 2015-02
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/11336/127086
Fernández, Joaquín; Aligia, Armando Ángel; Lobos, Alejandro Martin; Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111); Europhysics Letters; Europhysics Letters; 109; 3; 2-2015; 37011-37018
0295-5075
CONICET Digital
CONICET
url http://hdl.handle.net/11336/127086
identifier_str_mv Fernández, Joaquín; Aligia, Armando Ángel; Lobos, Alejandro Martin; Valence fluctuations in a lattice of magnetic molecules: Application to iron(II) phtalocyanine molecules on Au(111); Europhysics Letters; Europhysics Letters; 109; 3; 2-2015; 37011-37018
0295-5075
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/0295-5075/109/3/37011?rel=sem&relno=1
info:eu-repo/semantics/altIdentifier/doi/10.1209/0295-5075/109/37011
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
dc.publisher.none.fl_str_mv Europhysics Letters
publisher.none.fl_str_mv Europhysics Letters
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 13.070432

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