Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6

Autores
Gil Rebaza, Arles Víctor; Deluque Toro, Crispulo Enrique; Téllez Landínez, D. A; Roa Rojas, J.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this work, we present a detailed study of the structural and the electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6. All calculations were performed with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) based on the Density Functional Theory (DFT). From the minimization of energy as a function of volume using the Murnaghan's state equation has been obtained the equilibrium lattice parameter and the bulk modulus of these compounds. The study of the electronic structure was based in the analysis of the electronic density of states (DOS), and the density of charge, showing that these compounds have a total magnetic moment of 3.0 μB per formula unit due to Er atoms.
Fil: Gil Rebaza, Arles Víctor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Deluque Toro, Crispulo Enrique. Universidad Popular del Cesar; Colombia
Fil: Téllez Landínez, D. A. Universidad Nacional de Colombia; Colombia
Fil: Roa Rojas, J.. Universidad Nacional de Colombia; Colombia
Materia
AB INITIO CALCULATIONS
DOUBLE PEROVSKITE
MAGNETIC PROPERTIES
DENSITY OF STATES
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/100204
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/100204
network_acronym_str CONICETDig
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network_name_str CONICET Digital (CONICET)
spelling Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6Gil Rebaza, Arles VíctorDeluque Toro, Crispulo EnriqueTéllez Landínez, D. ARoa Rojas, J.AB INITIO CALCULATIONSDOUBLE PEROVSKITEMAGNETIC PROPERTIESDENSITY OF STATEShttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this work, we present a detailed study of the structural and the electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6. All calculations were performed with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) based on the Density Functional Theory (DFT). From the minimization of energy as a function of volume using the Murnaghan's state equation has been obtained the equilibrium lattice parameter and the bulk modulus of these compounds. The study of the electronic structure was based in the analysis of the electronic density of states (DOS), and the density of charge, showing that these compounds have a total magnetic moment of 3.0 μB per formula unit due to Er atoms.Fil: Gil Rebaza, Arles Víctor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; ArgentinaFil: Deluque Toro, Crispulo Enrique. Universidad Popular del Cesar; ColombiaFil: Téllez Landínez, D. A. Universidad Nacional de Colombia; ColombiaFil: Roa Rojas, J.. Universidad Nacional de Colombia; ColombiaIOP Publishing2014-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/100204Gil Rebaza, Arles Víctor; Deluque Toro, Crispulo Enrique; Téllez Landínez, D. A; Roa Rojas, J.; Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6; IOP Publishing; Journal of Physics: Conference Series; 480; 1; 4-2014; 1-51742-65881742-6596CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://iopscience.iop.org/1742-6596/480/1/012041info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-6596/480/1/012041info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:59:47Zoai:ri.conicet.gov.ar:11336/100204instacron: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 09:59:48.134CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
title Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
spellingShingle Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
Gil Rebaza, Arles Víctor
AB INITIO CALCULATIONS
DOUBLE PEROVSKITE
MAGNETIC PROPERTIES
DENSITY OF STATES
title_short Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
title_full Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
title_fullStr Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
title_full_unstemmed Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
title_sort Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
dc.creator.none.fl_str_mv Gil Rebaza, Arles Víctor
Deluque Toro, Crispulo Enrique
Téllez Landínez, D. A
Roa Rojas, J.
author Gil Rebaza, Arles Víctor
author_facet Gil Rebaza, Arles Víctor
Deluque Toro, Crispulo Enrique
Téllez Landínez, D. A
Roa Rojas, J.
author_role author
author2 Deluque Toro, Crispulo Enrique
Téllez Landínez, D. A
Roa Rojas, J.
author2_role author
author
author
dc.subject.none.fl_str_mv AB INITIO CALCULATIONS
DOUBLE PEROVSKITE
MAGNETIC PROPERTIES
DENSITY OF STATES
topic AB INITIO CALCULATIONS
DOUBLE PEROVSKITE
MAGNETIC PROPERTIES
DENSITY OF STATES
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 detailed study of the structural and the electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6. All calculations were performed with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) based on the Density Functional Theory (DFT). From the minimization of energy as a function of volume using the Murnaghan's state equation has been obtained the equilibrium lattice parameter and the bulk modulus of these compounds. The study of the electronic structure was based in the analysis of the electronic density of states (DOS), and the density of charge, showing that these compounds have a total magnetic moment of 3.0 μB per formula unit due to Er atoms.
Fil: Gil Rebaza, Arles Víctor. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Física La Plata. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Física La Plata; Argentina
Fil: Deluque Toro, Crispulo Enrique. Universidad Popular del Cesar; Colombia
Fil: Téllez Landínez, D. A. Universidad Nacional de Colombia; Colombia
Fil: Roa Rojas, J.. Universidad Nacional de Colombia; Colombia
description In this work, we present a detailed study of the structural and the electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6. All calculations were performed with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) based on the Density Functional Theory (DFT). From the minimization of energy as a function of volume using the Murnaghan's state equation has been obtained the equilibrium lattice parameter and the bulk modulus of these compounds. The study of the electronic structure was based in the analysis of the electronic density of states (DOS), and the density of charge, showing that these compounds have a total magnetic moment of 3.0 μB per formula unit due to Er atoms.
publishDate 2014
dc.date.none.fl_str_mv 2014-04
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/11336/100204
Gil Rebaza, Arles Víctor; Deluque Toro, Crispulo Enrique; Téllez Landínez, D. A; Roa Rojas, J.; Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6; IOP Publishing; Journal of Physics: Conference Series; 480; 1; 4-2014; 1-5
1742-6588
1742-6596
CONICET Digital
CONICET
url http://hdl.handle.net/11336/100204
identifier_str_mv Gil Rebaza, Arles Víctor; Deluque Toro, Crispulo Enrique; Téllez Landínez, D. A; Roa Rojas, J.; Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6; IOP Publishing; Journal of Physics: Conference Series; 480; 1; 4-2014; 1-5
1742-6588
1742-6596
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://iopscience.iop.org/1742-6596/480/1/012041
info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-6596/480/1/012041
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv IOP Publishing
publisher.none.fl_str_mv IOP Publishing
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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