Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory
- Autores
- Gómez, Guillermina; Cabeza, Gabriela Fernanda; Belelli, Patricia Gabriela
- Año de publicación
- 2009
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- Electronic and magnetic properties of Pd-Ni multilayers have been studied using VASP method in the framework of the density functional theory (DFT). The calculations performed for different configurations (Pd n/Ni m(1 1 1), where n Pd layers are piled up over m Ni layers with n=0 to 4 and n+m=4), reveal that the important magnetic moment of Ni is significantly enhanced according as n increases due to hybridization effects between Pd and Ni mostly localized at the interface. The results also indicate that the Pd atoms are strongly polarized in the studied systems when compared with the pure metal
Fil: Gómez, Guillermina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Belelli, Patricia Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina - Materia
-
Dft
Electronic Structure
Magnetism
Pd-Ni Multilayers - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/69661
Ver los metadatos del registro completo
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Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theoryGómez, GuillerminaCabeza, Gabriela FernandaBelelli, Patricia GabrielaDftElectronic StructureMagnetismPd-Ni Multilayershttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Electronic and magnetic properties of Pd-Ni multilayers have been studied using VASP method in the framework of the density functional theory (DFT). The calculations performed for different configurations (Pd n/Ni m(1 1 1), where n Pd layers are piled up over m Ni layers with n=0 to 4 and n+m=4), reveal that the important magnetic moment of Ni is significantly enhanced according as n increases due to hybridization effects between Pd and Ni mostly localized at the interface. The results also indicate that the Pd atoms are strongly polarized in the studied systems when compared with the pure metalFil: Gómez, Guillermina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Belelli, Patricia Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaElsevier Science2009-10info: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/11336/69661Gómez, Guillermina; Cabeza, Gabriela Fernanda; Belelli, Patricia Gabriela; Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory; Elsevier Science; Journal of Magnetism and Magnetic Materials; 321; 20; 10-2009; 3478-34820304-8853CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0304885309006775info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jmmm.2009.06.059info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:07:19Zoai:ri.conicet.gov.ar:11336/69661instacron: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 10:07:19.892CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
title |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
spellingShingle |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory Gómez, Guillermina Dft Electronic Structure Magnetism Pd-Ni Multilayers |
title_short |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
title_full |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
title_fullStr |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
title_full_unstemmed |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
title_sort |
Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory |
dc.creator.none.fl_str_mv |
Gómez, Guillermina Cabeza, Gabriela Fernanda Belelli, Patricia Gabriela |
author |
Gómez, Guillermina |
author_facet |
Gómez, Guillermina Cabeza, Gabriela Fernanda Belelli, Patricia Gabriela |
author_role |
author |
author2 |
Cabeza, Gabriela Fernanda Belelli, Patricia Gabriela |
author2_role |
author author |
dc.subject.none.fl_str_mv |
Dft Electronic Structure Magnetism Pd-Ni Multilayers |
topic |
Dft Electronic Structure Magnetism Pd-Ni Multilayers |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
Electronic and magnetic properties of Pd-Ni multilayers have been studied using VASP method in the framework of the density functional theory (DFT). The calculations performed for different configurations (Pd n/Ni m(1 1 1), where n Pd layers are piled up over m Ni layers with n=0 to 4 and n+m=4), reveal that the important magnetic moment of Ni is significantly enhanced according as n increases due to hybridization effects between Pd and Ni mostly localized at the interface. The results also indicate that the Pd atoms are strongly polarized in the studied systems when compared with the pure metal Fil: Gómez, Guillermina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina Fil: Cabeza, Gabriela Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina Fil: Belelli, Patricia Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina |
description |
Electronic and magnetic properties of Pd-Ni multilayers have been studied using VASP method in the framework of the density functional theory (DFT). The calculations performed for different configurations (Pd n/Ni m(1 1 1), where n Pd layers are piled up over m Ni layers with n=0 to 4 and n+m=4), reveal that the important magnetic moment of Ni is significantly enhanced according as n increases due to hybridization effects between Pd and Ni mostly localized at the interface. The results also indicate that the Pd atoms are strongly polarized in the studied systems when compared with the pure metal |
publishDate |
2009 |
dc.date.none.fl_str_mv |
2009-10 |
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/11336/69661 Gómez, Guillermina; Cabeza, Gabriela Fernanda; Belelli, Patricia Gabriela; Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory; Elsevier Science; Journal of Magnetism and Magnetic Materials; 321; 20; 10-2009; 3478-3482 0304-8853 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/69661 |
identifier_str_mv |
Gómez, Guillermina; Cabeza, Gabriela Fernanda; Belelli, Patricia Gabriela; Electronic and magnetic properties of Pd-Ni multilayers: Study using density functional theory; Elsevier Science; Journal of Magnetism and Magnetic Materials; 321; 20; 10-2009; 3478-3482 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/url/https://www.sciencedirect.com/science/article/pii/S0304885309006775 info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jmmm.2009.06.059 |
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 |
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 |
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CONICET Digital (CONICET) |
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CONICET Digital (CONICET) |
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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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13.070432 |