Vanessa A. Cascos
Tuning between Proper and Hybrid-Improper Mechanisms for Polar Behavior in CsLn2Ti2NbO10 Dion-Jacobson Phases
Cascos, Vanessa A.; Roberts-Watts, Jennifer; Skingle, Chloe; Levin, Igor; Zhang, Weiguo; Halasyamani, P. Shiv; Stennett, Martin C.; Hyatt, Neil C.; Bousquet, Eric; McCabe, Emma E.
Authors
Jennifer Roberts-Watts
Chloe Skingle
Igor Levin
Weiguo Zhang
P. Shiv Halasyamani
Martin C. Stennett
Neil C. Hyatt
Eric Bousquet
Dr Emma McCabe emma.mccabe@durham.ac.uk
Associate Professor
Abstract
The Dion-Jacobson (DJ) family of perovskite-related materials have recently attracted interest due to their polar structures and properties, resulting from hybrid-improper mechanisms for ferroelectricity in n = 2 systems and from proper mechanisms in n = 3 CsBi2Ti2NbO10. We report here a combined experimental and computational study on analogous n = 3 CsLn2Ti2NbO10 (Ln = La, Nd) materials. Density functional theory calculations reveal the shallow energy landscape in these systems and give an understanding of the competing structural models suggested by neutron and electron diffraction studies. The structural disorder resulting from the shallow energy landscape breaks inversion symmetry at a local level, consistent with the observed second-harmonic generation. This study reveals the potential to tune between proper and hybrid-improper mechanisms by composition in the DJ family. The disorder and shallow energy landscape have implications for designing functional materials with properties reliant on competing low-energy phases such as relaxors and antiferroelectrics.
Citation
Cascos, V. A., Roberts-Watts, J., Skingle, C., Levin, I., Zhang, W., Halasyamani, P. S., Stennett, M. C., Hyatt, N. C., Bousquet, E., & McCabe, E. E. (2020). Tuning between Proper and Hybrid-Improper Mechanisms for Polar Behavior in CsLn2Ti2NbO10 Dion-Jacobson Phases. Chemistry of Materials, 32(19), 8700-8712. https://doi.org/10.1021/acs.chemmater.0c03326
Journal Article Type | Article |
---|---|
Online Publication Date | Oct 22, 2020 |
Publication Date | Oct 13, 2020 |
Deposit Date | Jan 5, 2021 |
Publicly Available Date | Oct 29, 2021 |
Journal | Chemistry of Materials |
Print ISSN | 0897-4756 |
Electronic ISSN | 1520-5002 |
Publisher | American Chemical Society |
Peer Reviewed | Peer Reviewed |
Volume | 32 |
Issue | 19 |
Pages | 8700-8712 |
DOI | https://doi.org/10.1021/acs.chemmater.0c03326 |
Public URL | https://durham-repository.worktribe.com/output/1248215 |
Related Public URLs | https://kar.kent.ac.uk/83192/ |
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Copyright Statement
This is an open access article published under a Creative Commons Attribution (CC-BY)
License, which permits unrestricted use, distribution and reproduction in any medium,
provided the author and source are cited.
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