Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)

Autores
Facio, Jorge Ismael; Betancourth Giraldo, Diana Maria; Pedrazzini, Pablo; Correa, Víctor Félix; Vildosola, Veronica Laura; Garcia, Daniel Julio; Cornaglia de la Cruz, Pablo Sebastian
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The discovery in 2001 of superconductivity in some heavy fermion compounds of the RMIn5 (R=4f or 5f elements; M=Co, Rh, Ir) family, has triggered an enormous amount of research into understanding the physical origin of superconductivity and its relation with magnetism. Although many properties have been clarified, there are still crucial questions that remain unanswered. One of these questions is the particular role of the transition metal in determining the value of critical superconducting temperature (TC). In this work, we analyze an interesting regularity that is experimentally observed in this family of compounds, where the lowest Néel temperatures are obtained in the Co-based materials. We focus our analysis on the GdMIn5 compounds and perform density-functional-theory-based total-energy calculations to obtain the parameters for the exchange coupling interactions between the magnetic moments located at the Gd3+ ions. Our calculations indicate that the ground state of the three compounds is a C-type antiferromagnet determined by the competition between the first- and second-neighbor exchange couplings inside GdIn3 planes and stabilized by the couplings across MIn2 planes. We then solve a model with these magnetic interactions using a mean-field approximation and quantum Monte Carlo simulations. The results obtained for the calculated Néel and Curie-Weiss temperatures, the specific heat, and the magnetic susceptibility are in very good agreement with the existent experimental data. Remarkably, we show that the first-neighbor interplane exchange coupling in the Co-based material is much smaller than in the Rh and Ir analogs which leads to a more two-dimensional magnetic behavior in the former. This result explains the observed lower Néel temperature in Co-115 systems and may shed light on the fact that the Co-based 115 superconductors present the highest TC.
Fil: Facio, Jorge Ismael. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Betancourth Giraldo, Diana Maria. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; 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: Pedrazzini, Pablo. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Correa, Víctor Félix. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Vildosola, Veronica Laura. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Garcia, Daniel Julio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Cornaglia de la Cruz, Pablo Sebastian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Materia
ANTIFERROMAGNETICS
PHONON STATES AND BANDS, NORMAL MODES, AND PHONON DISPERSION
ELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDS
THERMAL EXPANSION; THERMOMECHANICAL EFFECTS
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:11336/112306
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)Facio, Jorge IsmaelBetancourth Giraldo, Diana MariaPedrazzini, PabloCorrea, Víctor FélixVildosola, Veronica LauraGarcia, Daniel JulioCornaglia de la Cruz, Pablo SebastianANTIFERROMAGNETICSPHONON STATES AND BANDS, NORMAL MODES, AND PHONON DISPERSIONELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDSTHERMAL EXPANSION; THERMOMECHANICAL EFFECTShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The discovery in 2001 of superconductivity in some heavy fermion compounds of the RMIn5 (R=4f or 5f elements; M=Co, Rh, Ir) family, has triggered an enormous amount of research into understanding the physical origin of superconductivity and its relation with magnetism. Although many properties have been clarified, there are still crucial questions that remain unanswered. One of these questions is the particular role of the transition metal in determining the value of critical superconducting temperature (TC). In this work, we analyze an interesting regularity that is experimentally observed in this family of compounds, where the lowest Néel temperatures are obtained in the Co-based materials. We focus our analysis on the GdMIn5 compounds and perform density-functional-theory-based total-energy calculations to obtain the parameters for the exchange coupling interactions between the magnetic moments located at the Gd3+ ions. Our calculations indicate that the ground state of the three compounds is a C-type antiferromagnet determined by the competition between the first- and second-neighbor exchange couplings inside GdIn3 planes and stabilized by the couplings across MIn2 planes. We then solve a model with these magnetic interactions using a mean-field approximation and quantum Monte Carlo simulations. The results obtained for the calculated Néel and Curie-Weiss temperatures, the specific heat, and the magnetic susceptibility are in very good agreement with the existent experimental data. Remarkably, we show that the first-neighbor interplane exchange coupling in the Co-based material is much smaller than in the Rh and Ir analogs which leads to a more two-dimensional magnetic behavior in the former. This result explains the observed lower Néel temperature in Co-115 systems and may shed light on the fact that the Co-based 115 superconductors present the highest TC.Fil: Facio, Jorge Ismael. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Betancourth Giraldo, Diana Maria. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; 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: Pedrazzini, Pablo. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: Correa, Víctor Félix. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Vildosola, Veronica Laura. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Garcia, Daniel Julio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Cornaglia de la Cruz, Pablo Sebastian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaAmerican Physical Society2015-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/112306Facio, Jorge Ismael; Betancourth Giraldo, Diana Maria; Pedrazzini, Pablo; Correa, Víctor Félix; Vildosola, Veronica Laura; et al.; Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir); American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 91; 1-2015; 144091-1440971098-0121CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.014409info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.91.014409info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:45:17Zoai:ri.conicet.gov.ar:11336/112306instacron: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 10:45:17.512CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
title Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
spellingShingle Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
Facio, Jorge Ismael
ANTIFERROMAGNETICS
PHONON STATES AND BANDS, NORMAL MODES, AND PHONON DISPERSION
ELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDS
THERMAL EXPANSION; THERMOMECHANICAL EFFECTS
title_short Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
title_full Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
title_fullStr Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
title_full_unstemmed Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
title_sort Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir)
dc.creator.none.fl_str_mv Facio, Jorge Ismael
Betancourth Giraldo, Diana Maria
Pedrazzini, Pablo
Correa, Víctor Félix
Vildosola, Veronica Laura
Garcia, Daniel Julio
Cornaglia de la Cruz, Pablo Sebastian
author Facio, Jorge Ismael
author_facet Facio, Jorge Ismael
Betancourth Giraldo, Diana Maria
Pedrazzini, Pablo
Correa, Víctor Félix
Vildosola, Veronica Laura
Garcia, Daniel Julio
Cornaglia de la Cruz, Pablo Sebastian
author_role author
author2 Betancourth Giraldo, Diana Maria
Pedrazzini, Pablo
Correa, Víctor Félix
Vildosola, Veronica Laura
Garcia, Daniel Julio
Cornaglia de la Cruz, Pablo Sebastian
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv ANTIFERROMAGNETICS
PHONON STATES AND BANDS, NORMAL MODES, AND PHONON DISPERSION
ELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDS
THERMAL EXPANSION; THERMOMECHANICAL EFFECTS
topic ANTIFERROMAGNETICS
PHONON STATES AND BANDS, NORMAL MODES, AND PHONON DISPERSION
ELECTRON DENSITY OF STATES AND BAND STRUCTURE OF CRYSTALLINE SOLIDS
THERMAL EXPANSION; THERMOMECHANICAL EFFECTS
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 discovery in 2001 of superconductivity in some heavy fermion compounds of the RMIn5 (R=4f or 5f elements; M=Co, Rh, Ir) family, has triggered an enormous amount of research into understanding the physical origin of superconductivity and its relation with magnetism. Although many properties have been clarified, there are still crucial questions that remain unanswered. One of these questions is the particular role of the transition metal in determining the value of critical superconducting temperature (TC). In this work, we analyze an interesting regularity that is experimentally observed in this family of compounds, where the lowest Néel temperatures are obtained in the Co-based materials. We focus our analysis on the GdMIn5 compounds and perform density-functional-theory-based total-energy calculations to obtain the parameters for the exchange coupling interactions between the magnetic moments located at the Gd3+ ions. Our calculations indicate that the ground state of the three compounds is a C-type antiferromagnet determined by the competition between the first- and second-neighbor exchange couplings inside GdIn3 planes and stabilized by the couplings across MIn2 planes. We then solve a model with these magnetic interactions using a mean-field approximation and quantum Monte Carlo simulations. The results obtained for the calculated Néel and Curie-Weiss temperatures, the specific heat, and the magnetic susceptibility are in very good agreement with the existent experimental data. Remarkably, we show that the first-neighbor interplane exchange coupling in the Co-based material is much smaller than in the Rh and Ir analogs which leads to a more two-dimensional magnetic behavior in the former. This result explains the observed lower Néel temperature in Co-115 systems and may shed light on the fact that the Co-based 115 superconductors present the highest TC.
Fil: Facio, Jorge Ismael. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Betancourth Giraldo, Diana Maria. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; 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: Pedrazzini, Pablo. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
Fil: Correa, Víctor Félix. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Vildosola, Veronica Laura. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Garcia, Daniel Julio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina
Fil: Cornaglia de la Cruz, Pablo Sebastian. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina
description The discovery in 2001 of superconductivity in some heavy fermion compounds of the RMIn5 (R=4f or 5f elements; M=Co, Rh, Ir) family, has triggered an enormous amount of research into understanding the physical origin of superconductivity and its relation with magnetism. Although many properties have been clarified, there are still crucial questions that remain unanswered. One of these questions is the particular role of the transition metal in determining the value of critical superconducting temperature (TC). In this work, we analyze an interesting regularity that is experimentally observed in this family of compounds, where the lowest Néel temperatures are obtained in the Co-based materials. We focus our analysis on the GdMIn5 compounds and perform density-functional-theory-based total-energy calculations to obtain the parameters for the exchange coupling interactions between the magnetic moments located at the Gd3+ ions. Our calculations indicate that the ground state of the three compounds is a C-type antiferromagnet determined by the competition between the first- and second-neighbor exchange couplings inside GdIn3 planes and stabilized by the couplings across MIn2 planes. We then solve a model with these magnetic interactions using a mean-field approximation and quantum Monte Carlo simulations. The results obtained for the calculated Néel and Curie-Weiss temperatures, the specific heat, and the magnetic susceptibility are in very good agreement with the existent experimental data. Remarkably, we show that the first-neighbor interplane exchange coupling in the Co-based material is much smaller than in the Rh and Ir analogs which leads to a more two-dimensional magnetic behavior in the former. This result explains the observed lower Néel temperature in Co-115 systems and may shed light on the fact that the Co-based 115 superconductors present the highest TC.
publishDate 2015
dc.date.none.fl_str_mv 2015-01
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/11336/112306
Facio, Jorge Ismael; Betancourth Giraldo, Diana Maria; Pedrazzini, Pablo; Correa, Víctor Félix; Vildosola, Veronica Laura; et al.; Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir); American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 91; 1-2015; 144091-144097
1098-0121
CONICET Digital
CONICET
url http://hdl.handle.net/11336/112306
identifier_str_mv Facio, Jorge Ismael; Betancourth Giraldo, Diana Maria; Pedrazzini, Pablo; Correa, Víctor Félix; Vildosola, Veronica Laura; et al.; Why the Co-based 115 compounds are different: The case study of GdM In5 (M=Co,Rh,Ir); American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 91; 1-2015; 144091-144097
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/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.91.014409
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.91.014409
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
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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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