Bi2W2O9: A potentially antiferroelectric Aurivillius phase

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DJANI, Hania, MCCABE, Emma E, ZHANG, W, HALASYAMANI, PS, FETEIRA, Antonio, BIEDER, Jordan, BOUSQUET, Eric and GHOSEZ, Philippe (2020). Bi2W2O9: A potentially antiferroelectric Aurivillius phase. Physical Review B, 101 (13), p. 134113. [Article]

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26309:547784

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26309:547784

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Abstract

Ferroelectric tungsten-based Aurivillius oxides are naturally stable superlattice structures, in which A-site deficient perovskite blocks [WnO3n+1]−2 (n=1,2,3,⋯) interleave with fluorite-like bismuth oxide layers [Bi2O2]+2 along the c-axis. In the n=2Bi2W2O9 phase, an in-plane antipolar distortion dominates but there has been controversy as to the ground-state symmetry. Here we show, using a combination of first-principles density functional theory calculations and experiments, that the ground state is a nonpolar phase of Pnab symmetry. We explore the energetics of metastable phases and the potential for antiferroelectricity in this n=2 Aurivillius phase.

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Official URL:

https://journals.aps.org/prb/abstract/10.1103/Phys...

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p. 134113

Identifiers

Identification Number:

10.1103/PhysRevB.101.134113

ORCID for Emma E McCabe: