Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6
- Autores
- Gil Rebaza, Arles Víctor; Deluque Toro, C. E.; Landínez Téllez, 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)O6. 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.
Instituto de Física La Plata - Materia
-
Física
Perovskite
Strontium compounds
Double perovskites - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by/3.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/85283
Ver los metadatos del registro completo
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Electronic structure of the double perovskite Ba2Er(Nb,Sb)O 6Gil Rebaza, Arles VíctorDeluque Toro, C. E.Landínez Téllez, D. A.Roa Rojas, J.FísicaPerovskiteStrontium compoundsDouble perovskitesIn this work, we present a detailed study of the structural and the electronic structure of the double perovskite Ba<sub>2</sub>Er(Nb,Sb)O<sub>6</sub>. 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 μ<sub>B</sub> per formula unit due to Er atoms.Instituto de Física La Plata2014info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/85283enginfo:eu-repo/semantics/altIdentifier/issn/1742-6588info:eu-repo/semantics/altIdentifier/doi/10.1088/1742-6596/480/1/012041info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/3.0/Creative Commons Attribution 3.0 Unported (CC BY 3.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-11-05T12:55:44Zoai:sedici.unlp.edu.ar:10915/85283Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-11-05 12:55:45.139SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| 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 Física Perovskite Strontium compounds Double perovskites |
| 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, C. E. Landínez Téllez, D. A. Roa Rojas, J. |
| author |
Gil Rebaza, Arles Víctor |
| author_facet |
Gil Rebaza, Arles Víctor Deluque Toro, C. E. Landínez Téllez, D. A. Roa Rojas, J. |
| author_role |
author |
| author2 |
Deluque Toro, C. E. Landínez Téllez, D. A. Roa Rojas, J. |
| author2_role |
author author author |
| dc.subject.none.fl_str_mv |
Física Perovskite Strontium compounds Double perovskites |
| topic |
Física Perovskite Strontium compounds Double perovskites |
| 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 Ba<sub>2</sub>Er(Nb,Sb)O<sub>6</sub>. 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 μ<sub>B</sub> per formula unit due to Er atoms. Instituto de Física La Plata |
| description |
In this work, we present a detailed study of the structural and the electronic structure of the double perovskite Ba<sub>2</sub>Er(Nb,Sb)O<sub>6</sub>. 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 μ<sub>B</sub> per formula unit due to Er atoms. |
| publishDate |
2014 |
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2014 |
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http://sedici.unlp.edu.ar/handle/10915/85283 |
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eng |
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eng |
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