The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn

Autores
Lanzini, Fernando Gabriel; Alés, Alejandro
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Abstract A theoretical study of the ground state properties of alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn is presented. Cohesive energies, lattice parameters and magnetic moments of the two limiting compounds and three intermediate compositions are calculated by means of density functional theory. In order to evaluate the role of magnetism, both the spin-polarized (SP) and the non spin-polarized (NSP) cases have been considered. It is shown that magnetism plays a central role on the stabilization of the L21 crystal structure in Cu2AlMn, and in the formation of the miscibility gap in Cu3Al-Cu2AlMn. The considerable lattice mismatch between the end compounds can be attributed also to magnetic effects.
Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Materia
Dft Calculations
Heusler Alloys
Magnetic Properties
Phase Separation
Structural Properties
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:11336/50711
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/50711
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-MnLanzini, Fernando GabrielAlés, AlejandroDft CalculationsHeusler AlloysMagnetic PropertiesPhase SeparationStructural Propertieshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Abstract A theoretical study of the ground state properties of alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn is presented. Cohesive energies, lattice parameters and magnetic moments of the two limiting compounds and three intermediate compositions are calculated by means of density functional theory. In order to evaluate the role of magnetism, both the spin-polarized (SP) and the non spin-polarized (NSP) cases have been considered. It is shown that magnetism plays a central role on the stabilization of the L21 crystal structure in Cu2AlMn, and in the formation of the miscibility gap in Cu3Al-Cu2AlMn. The considerable lattice mismatch between the end compounds can be attributed also to magnetic effects.Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; ArgentinaFil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; ArgentinaElsevier Science2015-08info: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/11336/50711Lanzini, Fernando Gabriel; Alés, Alejandro; The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn; Elsevier Science; Journal of Magnetism and Magnetic Materials; 395; 8-2015; 234-2390304-8853CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jmmm.2015.07.068info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0304885315303760info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:48:05Zoai:ri.conicet.gov.ar:11336/50711instacron: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 09:48:06.003CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
title The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
spellingShingle The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
Lanzini, Fernando Gabriel
Dft Calculations
Heusler Alloys
Magnetic Properties
Phase Separation
Structural Properties
title_short The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
title_full The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
title_fullStr The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
title_full_unstemmed The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
title_sort The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn
dc.creator.none.fl_str_mv Lanzini, Fernando Gabriel
Alés, Alejandro
author Lanzini, Fernando Gabriel
author_facet Lanzini, Fernando Gabriel
Alés, Alejandro
author_role author
author2 Alés, Alejandro
author2_role author
dc.subject.none.fl_str_mv Dft Calculations
Heusler Alloys
Magnetic Properties
Phase Separation
Structural Properties
topic Dft Calculations
Heusler Alloys
Magnetic Properties
Phase Separation
Structural Properties
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Abstract A theoretical study of the ground state properties of alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn is presented. Cohesive energies, lattice parameters and magnetic moments of the two limiting compounds and three intermediate compositions are calculated by means of density functional theory. In order to evaluate the role of magnetism, both the spin-polarized (SP) and the non spin-polarized (NSP) cases have been considered. It is shown that magnetism plays a central role on the stabilization of the L21 crystal structure in Cu2AlMn, and in the formation of the miscibility gap in Cu3Al-Cu2AlMn. The considerable lattice mismatch between the end compounds can be attributed also to magnetic effects.
Fil: Lanzini, Fernando Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
Fil: Alés, Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Exactas. Instituto de Física de Materiales; Argentina
description Abstract A theoretical study of the ground state properties of alloys with compositions along the pseudobinary line Cu3Al-Cu2AlMn is presented. Cohesive energies, lattice parameters and magnetic moments of the two limiting compounds and three intermediate compositions are calculated by means of density functional theory. In order to evaluate the role of magnetism, both the spin-polarized (SP) and the non spin-polarized (NSP) cases have been considered. It is shown that magnetism plays a central role on the stabilization of the L21 crystal structure in Cu2AlMn, and in the formation of the miscibility gap in Cu3Al-Cu2AlMn. The considerable lattice mismatch between the end compounds can be attributed also to magnetic effects.
publishDate 2015
dc.date.none.fl_str_mv 2015-08
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/11336/50711
Lanzini, Fernando Gabriel; Alés, Alejandro; The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn; Elsevier Science; Journal of Magnetism and Magnetic Materials; 395; 8-2015; 234-239
0304-8853
CONICET Digital
CONICET
url http://hdl.handle.net/11336/50711
identifier_str_mv Lanzini, Fernando Gabriel; Alés, Alejandro; The role of magnetism in the formation of the two-phase miscibility gap in β Cu-Al-Mn; Elsevier Science; Journal of Magnetism and Magnetic Materials; 395; 8-2015; 234-239
0304-8853
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jmmm.2015.07.068
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0304885315303760
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 Elsevier Science
publisher.none.fl_str_mv Elsevier Science
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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