First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB>
- Autores
- Stachiotti, Marcelo Gabriel; Rodríguez, Carlos Osvaldo; Ambrosch Draxl, C.; Christensen, N. B.
- Año de publicación
- 2000
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The electronic structure of SrBi2Ta2O9 (SBT) is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large Ta(5d)-O(2p) hybridization which is a common feature of the ferroelectric perovskites, there is an important hybridization between bismuth and oxygen states. The role played by these two covalent bonds for driving the ferroelectric instability in SBT is investigated.
Instituto de Física de Líquidos y Sistemas Biológicos - Materia
-
Física
SBT
Electronic structure
LDA - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/99986
Ver los metadatos del registro completo
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First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB>Stachiotti, Marcelo GabrielRodríguez, Carlos OsvaldoAmbrosch Draxl, C.Christensen, N. B.FísicaSBTElectronic structureLDAThe electronic structure of SrBi2Ta2O9 (SBT) is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large Ta(5d)-O(2p) hybridization which is a common feature of the ferroelectric perovskites, there is an important hybridization between bismuth and oxygen states. The role played by these two covalent bonds for driving the ferroelectric instability in SBT is investigated.Instituto de Física de Líquidos y Sistemas Biológicos2000-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf49-55http://sedici.unlp.edu.ar/handle/10915/99986enginfo:eu-repo/semantics/altIdentifier/url/https://ri.conicet.gov.ar/11336/71870info:eu-repo/semantics/altIdentifier/issn/0015-0193info:eu-repo/semantics/altIdentifier/hdl/11336/71870info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:20:55Zoai:sedici.unlp.edu.ar:10915/99986Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:20:55.634SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| title |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| spellingShingle |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> Stachiotti, Marcelo Gabriel Física SBT Electronic structure LDA |
| title_short |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| title_full |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| title_fullStr |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| title_full_unstemmed |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| title_sort |
First Principles Investigation of SrBi<SUB>2</SUB>Ta<SUB>2</SUB>O<SUB>9</SUB> |
| dc.creator.none.fl_str_mv |
Stachiotti, Marcelo Gabriel Rodríguez, Carlos Osvaldo Ambrosch Draxl, C. Christensen, N. B. |
| author |
Stachiotti, Marcelo Gabriel |
| author_facet |
Stachiotti, Marcelo Gabriel Rodríguez, Carlos Osvaldo Ambrosch Draxl, C. Christensen, N. B. |
| author_role |
author |
| author2 |
Rodríguez, Carlos Osvaldo Ambrosch Draxl, C. Christensen, N. B. |
| author2_role |
author author author |
| dc.subject.none.fl_str_mv |
Física SBT Electronic structure LDA |
| topic |
Física SBT Electronic structure LDA |
| dc.description.none.fl_txt_mv |
The electronic structure of SrBi2Ta2O9 (SBT) is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large Ta(5d)-O(2p) hybridization which is a common feature of the ferroelectric perovskites, there is an important hybridization between bismuth and oxygen states. The role played by these two covalent bonds for driving the ferroelectric instability in SBT is investigated. Instituto de Física de Líquidos y Sistemas Biológicos |
| description |
The electronic structure of SrBi2Ta2O9 (SBT) is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large Ta(5d)-O(2p) hybridization which is a common feature of the ferroelectric perovskites, there is an important hybridization between bismuth and oxygen states. The role played by these two covalent bonds for driving the ferroelectric instability in SBT is investigated. |
| publishDate |
2000 |
| dc.date.none.fl_str_mv |
2000-07 |
| dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
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publishedVersion |
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http://sedici.unlp.edu.ar/handle/10915/99986 |
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| dc.language.none.fl_str_mv |
eng |
| language |
eng |
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