Artículo

First Principles Investigation of SrBi2Ta2O9

Stachiotti, Marcelo GabrielIcon ; Rodriguez, Carlos OsvaldoIcon ; Ambrosch Draxl, C.; Christensen, N. B.
Fecha de publicación: 07/2000
Editorial: Taylor & Francis Ltd
Revista: Ferroelectrics
ISSN: 0015-0193
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

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.
Palabras clave: Sbt , Electronic Structure , Lda
 
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Licencia
info:eu-repo/semantics/openAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Atribución-NoComercial-SinDerivadas 2.5 Argentina (CC BY-NC-ND 2.5 AR)
Identificadores
URI: http://hdl.handle.net/11336/71870
Colecciones
Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Citación
Stachiotti, Marcelo Gabriel; Rodriguez, Carlos Osvaldo; Ambrosch Draxl, C.; Christensen, N. B.; First Principles Investigation of SrBi2Ta2O9; Taylor & Francis Ltd; Ferroelectrics; 237; 1; 7-2000; 49-55
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