The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation

Autores
Hunt, Diego; Garbarino, Gaston Leonel; Rodríguez Velamazán, José Alberto; Ferrari, Valeria Paola; Jobbagy, Matias; Scherlis Perel, Damian Ariel
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Synchrotron X-ray and neutron diffraction experiments at various temperatures, down to 3 K, along with ab initio calculations, are carried out to elucidate the magnetic order of layered β-cobalt-hydroxide. This combination of techniques allows for the unambiguous assignment of the magnetic structure of this material. Our results confirm that below the Néel temperature high-spin cobalt centers are ferromagnetically coupled within a layer, and antiferromagnetically coupled across layers (magnetic propagation vector k = (0,0,½)), in agreement with the indirect interpretation based on magnetic susceptibility measurements. A paramagnetic/antiferromagnetic transition is observed at around 15 K. Moreover, the thermal expansion behavior along the c-lattice direction, perpendicular to the layers, shows an inflection slightly above this temperature, at around 30 K. The neutron diffraction patterns and the non-collinear DFT+U calculations indicate that the magnetization forms an angle of about 35° with the cobalt planes. In particular, for an isolated ferromagnetic layer, the electronic structure calculations reveal sharp cusps on the potential energy surface when the spins point parallel or perpendicular to the planes, suggesting that the ferromagnetic superexchange mechanism is strongly sensitive to the orientation of the magnetic moment.
Fil: Hunt, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Garbarino, Gaston Leonel. European Synchrotron Radiation; Francia. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Rodríguez Velamazán, José Alberto. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Institut Laue Langevin; Francia
Fil: Ferrari, Valeria Paola. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Jobbagy, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Scherlis Perel, Damian Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Materia
Magnetism
Hydroxyde
Spin
Layered Solid
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:11336/46772
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The magnetic structure of β-cobalt hydroxide and the effect of spin-orientationHunt, DiegoGarbarino, Gaston LeonelRodríguez Velamazán, José AlbertoFerrari, Valeria PaolaJobbagy, MatiasScherlis Perel, Damian ArielMagnetismHydroxydeSpinLayered Solidhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Synchrotron X-ray and neutron diffraction experiments at various temperatures, down to 3 K, along with ab initio calculations, are carried out to elucidate the magnetic order of layered β-cobalt-hydroxide. This combination of techniques allows for the unambiguous assignment of the magnetic structure of this material. Our results confirm that below the Néel temperature high-spin cobalt centers are ferromagnetically coupled within a layer, and antiferromagnetically coupled across layers (magnetic propagation vector k = (0,0,½)), in agreement with the indirect interpretation based on magnetic susceptibility measurements. A paramagnetic/antiferromagnetic transition is observed at around 15 K. Moreover, the thermal expansion behavior along the c-lattice direction, perpendicular to the layers, shows an inflection slightly above this temperature, at around 30 K. The neutron diffraction patterns and the non-collinear DFT+U calculations indicate that the magnetization forms an angle of about 35° with the cobalt planes. In particular, for an isolated ferromagnetic layer, the electronic structure calculations reveal sharp cusps on the potential energy surface when the spins point parallel or perpendicular to the planes, suggesting that the ferromagnetic superexchange mechanism is strongly sensitive to the orientation of the magnetic moment.Fil: Hunt, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Garbarino, Gaston Leonel. European Synchrotron Radiation; Francia. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rodríguez Velamazán, José Alberto. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Institut Laue Langevin; FranciaFil: Ferrari, Valeria Paola. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Jobbagy, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaFil: Scherlis Perel, Damian Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; ArgentinaRoyal Society of Chemistry2016-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/46772Hunt, Diego; Garbarino, Gaston Leonel; Rodríguez Velamazán, José Alberto; Ferrari, Valeria Paola; Jobbagy, Matias; et al.; The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 18; 44; 10-2016; 30407-304141463-9076CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1039/C6CP06006Dinfo:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP06006Dinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:43:19Zoai:ri.conicet.gov.ar:11336/46772instacron: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:34982025-09-03 09:43:19.955CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
title The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
spellingShingle The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
Hunt, Diego
Magnetism
Hydroxyde
Spin
Layered Solid
title_short The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
title_full The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
title_fullStr The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
title_full_unstemmed The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
title_sort The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation
dc.creator.none.fl_str_mv Hunt, Diego
Garbarino, Gaston Leonel
Rodríguez Velamazán, José Alberto
Ferrari, Valeria Paola
Jobbagy, Matias
Scherlis Perel, Damian Ariel
author Hunt, Diego
author_facet Hunt, Diego
Garbarino, Gaston Leonel
Rodríguez Velamazán, José Alberto
Ferrari, Valeria Paola
Jobbagy, Matias
Scherlis Perel, Damian Ariel
author_role author
author2 Garbarino, Gaston Leonel
Rodríguez Velamazán, José Alberto
Ferrari, Valeria Paola
Jobbagy, Matias
Scherlis Perel, Damian Ariel
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Magnetism
Hydroxyde
Spin
Layered Solid
topic Magnetism
Hydroxyde
Spin
Layered Solid
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Synchrotron X-ray and neutron diffraction experiments at various temperatures, down to 3 K, along with ab initio calculations, are carried out to elucidate the magnetic order of layered β-cobalt-hydroxide. This combination of techniques allows for the unambiguous assignment of the magnetic structure of this material. Our results confirm that below the Néel temperature high-spin cobalt centers are ferromagnetically coupled within a layer, and antiferromagnetically coupled across layers (magnetic propagation vector k = (0,0,½)), in agreement with the indirect interpretation based on magnetic susceptibility measurements. A paramagnetic/antiferromagnetic transition is observed at around 15 K. Moreover, the thermal expansion behavior along the c-lattice direction, perpendicular to the layers, shows an inflection slightly above this temperature, at around 30 K. The neutron diffraction patterns and the non-collinear DFT+U calculations indicate that the magnetization forms an angle of about 35° with the cobalt planes. In particular, for an isolated ferromagnetic layer, the electronic structure calculations reveal sharp cusps on the potential energy surface when the spins point parallel or perpendicular to the planes, suggesting that the ferromagnetic superexchange mechanism is strongly sensitive to the orientation of the magnetic moment.
Fil: Hunt, Diego. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Garbarino, Gaston Leonel. European Synchrotron Radiation; Francia. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Rodríguez Velamazán, José Alberto. Universidad de Zaragoza. Instituto de Ciencias de Materiales de Aragon; España. Institut Laue Langevin; Francia
Fil: Ferrari, Valeria Paola. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Jobbagy, Matias. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
Fil: Scherlis Perel, Damian Ariel. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria. Instituto de Química, Física de los Materiales, Medioambiente y Energía. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Instituto de Química, Física de los Materiales, Medioambiente y Energía; Argentina
description Synchrotron X-ray and neutron diffraction experiments at various temperatures, down to 3 K, along with ab initio calculations, are carried out to elucidate the magnetic order of layered β-cobalt-hydroxide. This combination of techniques allows for the unambiguous assignment of the magnetic structure of this material. Our results confirm that below the Néel temperature high-spin cobalt centers are ferromagnetically coupled within a layer, and antiferromagnetically coupled across layers (magnetic propagation vector k = (0,0,½)), in agreement with the indirect interpretation based on magnetic susceptibility measurements. A paramagnetic/antiferromagnetic transition is observed at around 15 K. Moreover, the thermal expansion behavior along the c-lattice direction, perpendicular to the layers, shows an inflection slightly above this temperature, at around 30 K. The neutron diffraction patterns and the non-collinear DFT+U calculations indicate that the magnetization forms an angle of about 35° with the cobalt planes. In particular, for an isolated ferromagnetic layer, the electronic structure calculations reveal sharp cusps on the potential energy surface when the spins point parallel or perpendicular to the planes, suggesting that the ferromagnetic superexchange mechanism is strongly sensitive to the orientation of the magnetic moment.
publishDate 2016
dc.date.none.fl_str_mv 2016-10
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/11336/46772
Hunt, Diego; Garbarino, Gaston Leonel; Rodríguez Velamazán, José Alberto; Ferrari, Valeria Paola; Jobbagy, Matias; et al.; The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 18; 44; 10-2016; 30407-30414
1463-9076
CONICET Digital
CONICET
url http://hdl.handle.net/11336/46772
identifier_str_mv Hunt, Diego; Garbarino, Gaston Leonel; Rodríguez Velamazán, José Alberto; Ferrari, Valeria Paola; Jobbagy, Matias; et al.; The magnetic structure of β-cobalt hydroxide and the effect of spin-orientation; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 18; 44; 10-2016; 30407-30414
1463-9076
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/C6CP06006D
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP06006D
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 Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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 13.13397

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