Electronic structure and ferroelectricity in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SrBi</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ta</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>9</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

G. Stachiotti, M.; O. Rodriguez, Carlos; Draxl, Claudia; E. Christensen, N.

doi:10.1103/physrevb.61.14434

Public

Electronic structure and ferroelectricity inSrBi2Ta2O9

Published in Physical review. B, Condensed matter • Jun 1, 2000

Authors:

M. G. Stachiotti

Carlos O. Rodriguez

Claudia Draxl

Abstract

The electronic structure of ${\mathrm{SrBi}}_{2}{\mathrm{Ta}}_{2}{\mathrm{O}}_{9}$ is investigated from first-principles, within the local-density approximation, using the full-potential linearized augmented plane-wave method. The results show that, besides the large $\mathrm{Ta}(5d)\ensuremath{-}\m...

Subject

Ferroelectricity

Bismuth

Phonon

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