Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains

Autores
Urdaniz, Maria Corina; Barral, María Andrea; Llois, Ana Maria; Saúl, A.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic TM-X(X=N,O) chains. By using density functional theory (DFT), we calculate the energy difference between the ferromagnetic and antiferromagnetic intrachain configurations for Ti, V, Cr, Mn, Fe, and Co. Both substrates give rise, with minor differences, to the same magnetic trends, the only chains which are ferromagnetic after adsorption are Cr chains. By performing similar calculations in unsupported chains and introducing a tight-binding-model Hamiltonian based on physically reasonable assumptions we reproduce the magnetic trends obtained from the DFT calculations.
Fil: Urdaniz, Maria Corina. Comisión Nacional de Energía Atómica; Argentina
Fil: Barral, María Andrea. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina
Fil: Llois, Ana Maria. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina
Fil: Saúl, A.. Universite d’Aix Marseille; Francia. Massachusetts Institute of Technology; Estados Unidos. MultiScale Material Science for Energy and Environment. Cambridge; Estados Unidos
Materia
Magnetic Interactions
3d atomic chains
Covalent substrate
Superexchange model
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:11336/36561
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/36561
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chainsUrdaniz, Maria CorinaBarral, María AndreaLlois, Ana MariaSaúl, A.Magnetic Interactions3d atomic chainsCovalent substrateSuperexchange modelhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic TM-X(X=N,O) chains. By using density functional theory (DFT), we calculate the energy difference between the ferromagnetic and antiferromagnetic intrachain configurations for Ti, V, Cr, Mn, Fe, and Co. Both substrates give rise, with minor differences, to the same magnetic trends, the only chains which are ferromagnetic after adsorption are Cr chains. By performing similar calculations in unsupported chains and introducing a tight-binding-model Hamiltonian based on physically reasonable assumptions we reproduce the magnetic trends obtained from the DFT calculations.Fil: Urdaniz, Maria Corina. Comisión Nacional de Energía Atómica; ArgentinaFil: Barral, María Andrea. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; ArgentinaFil: Llois, Ana Maria. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; ArgentinaFil: Saúl, A.. Universite d’Aix Marseille; Francia. Massachusetts Institute of Technology; Estados Unidos. MultiScale Material Science for Energy and Environment. Cambridge; Estados UnidosAmerican Physical Society2014-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/36561Urdaniz, Maria Corina; Barral, María Andrea; Llois, Ana Maria; Saúl, A.; Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 90; 19; 11-2014; 1954231-19542371098-0121CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.90.195423info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.195423info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:29:15Zoai:ri.conicet.gov.ar:11336/36561instacron: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 10:29:15.62CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
title Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
spellingShingle Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
Urdaniz, Maria Corina
Magnetic Interactions
3d atomic chains
Covalent substrate
Superexchange model
title_short Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
title_full Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
title_fullStr Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
title_full_unstemmed Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
title_sort Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains
dc.creator.none.fl_str_mv Urdaniz, Maria Corina
Barral, María Andrea
Llois, Ana Maria
Saúl, A.
author Urdaniz, Maria Corina
author_facet Urdaniz, Maria Corina
Barral, María Andrea
Llois, Ana Maria
Saúl, A.
author_role author
author2 Barral, María Andrea
Llois, Ana Maria
Saúl, A.
author2_role author
author
author
dc.subject.none.fl_str_mv Magnetic Interactions
3d atomic chains
Covalent substrate
Superexchange model
topic Magnetic Interactions
3d atomic chains
Covalent substrate
Superexchange model
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic TM-X(X=N,O) chains. By using density functional theory (DFT), we calculate the energy difference between the ferromagnetic and antiferromagnetic intrachain configurations for Ti, V, Cr, Mn, Fe, and Co. Both substrates give rise, with minor differences, to the same magnetic trends, the only chains which are ferromagnetic after adsorption are Cr chains. By performing similar calculations in unsupported chains and introducing a tight-binding-model Hamiltonian based on physically reasonable assumptions we reproduce the magnetic trends obtained from the DFT calculations.
Fil: Urdaniz, Maria Corina. Comisión Nacional de Energía Atómica; Argentina
Fil: Barral, María Andrea. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina
Fil: Llois, Ana Maria. Comisión Nacional de Energía Atómica; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina
Fil: Saúl, A.. Universite d’Aix Marseille; Francia. Massachusetts Institute of Technology; Estados Unidos. MultiScale Material Science for Energy and Environment. Cambridge; Estados Unidos
description In this work we present a systematic study of the magnetic interactions within 3d transition-metal chains adsorbed on Cu2N and Cu2O monolayers grown on Cu(001). We are interested in the particular geometric adsorption configuration which gives rise, after relaxation, to the development of diatomic TM-X(X=N,O) chains. By using density functional theory (DFT), we calculate the energy difference between the ferromagnetic and antiferromagnetic intrachain configurations for Ti, V, Cr, Mn, Fe, and Co. Both substrates give rise, with minor differences, to the same magnetic trends, the only chains which are ferromagnetic after adsorption are Cr chains. By performing similar calculations in unsupported chains and introducing a tight-binding-model Hamiltonian based on physically reasonable assumptions we reproduce the magnetic trends obtained from the DFT calculations.
publishDate 2014
dc.date.none.fl_str_mv 2014-11
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/11336/36561
Urdaniz, Maria Corina; Barral, María Andrea; Llois, Ana Maria; Saúl, A.; Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 90; 19; 11-2014; 1954231-1954237
1098-0121
CONICET Digital
CONICET
url http://hdl.handle.net/11336/36561
identifier_str_mv Urdaniz, Maria Corina; Barral, María Andrea; Llois, Ana Maria; Saúl, A.; Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X= N, O): Comparison with corresponding unsupported chains; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 90; 19; 11-2014; 1954231-1954237
1098-0121
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.90.195423
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.195423
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
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
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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