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Proper Ferroelectricity in the Dion?Jacobson Material CsBi2Ti2NbO10: Experiment and Theory

McCabe, Emma E., Bousquet, Eric, Stockdale, Christopher P. J., Deacon, Charles A., Tran, T. Thao, Halasyamani, P. Shiv, Stennett, Martin C., Hyatt, Neil C. (2015) Proper Ferroelectricity in the Dion?Jacobson Material CsBi2Ti2NbO10: Experiment and Theory. Chemistry of Materials, 27 (24). pp. 8298-8309. ISSN 0897-4756. E-ISSN 1520-5002. (doi:10.1021/acs.chemmater.5b03564) (KAR id:52583)

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A diverse range of materials and properties are exhibited by layered perovskites. We report on the synthesis, characterization, and computational investigation of a new ferroelectric?CsBi2Ti2NbO10, an n = 3 member of the Dion?Jacobson (DJ) family. Structural studies using variable temperature neutron powder diffraction indicate that a combination of octahedral rotations and polar displacements result in the polar structure. Density functional theory calculations reveal that the wider perovskite blocks in CsBi2Ti2NbO0 stabilize proper ferroelectricity, in contrast to the hybrid-improper ferroelectricity reported for all other DJ phases. Our results raise the possibility of a new class of proper ferroelectric materials analogous to the well-known Aurivillius phases.

Item Type: Article
DOI/Identification number: 10.1021/acs.chemmater.5b03564
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QC Physics > QC176 Solid state physics
Q Science > QD Chemistry > QD478 Solid State Chemistry
Q Science > QD Chemistry > QD156 Inorganic synthesis
Q Science > QD Chemistry > QD473 Physical properties in relation to structure
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Emma McCabe
Date Deposited: 20 Jan 2016 16:37 UTC
Last Modified: 01 Aug 2019 10:39 UTC
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