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Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides
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Clarke, Gabriel R. M., Daisenberger, Dominik, Luo, X., Cheong, S. W., Bristowe, Nicholas C. and Senn, Mark S. (2024) Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides. Physical Review B, 109 (9). 094107 . doi:10.1103/PhysRevB.109.094107 ISSN 2469-9950.
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Official URL: http://doi.org/10.1103/PhysRevB.109.094107
Abstract
The temperature-dependent phase transitions in Ruddlesden-Popper oxides with perovskite bilayers have been under increased scrutiny in recent years due to the so-called hybrid improper ferroelectricity that some chemical compositions exhibit. However, little is currently understood about the hydrostatic pressure dependence of these phase transitions. Herein we present the results of a combined high-pressure powder synchrotron x-ray diffraction experiment and abinitio study on the bilayered Ruddlesden-Popper phases Ca3Mn2O7 and Ca3Ti2O7. In both compounds we observe a first-order phase transition, that in combination with our density functional theory calculations, we can confidently assign as being between polar
A21am and nonpolar Acaa structures. Interestingly, we show that while the application of pressure ultimately favors a nonpolar phase, as is commonly observed for proper ferroelectrics, regions of response exist where pressure actually acts to increase the polar mode amplitudes. The reason for this can be untangled by considering the varied response of octahedral tilts and rotations to hydrostatic pressure and their trilinear coupling with the polar instability.
Item Type: | Journal Article | |||||||||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | |||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Ferroelectric crystals , Phase transformations (Statistical physics) , Perovskite (Mineral), Ferroelectricity , Density functionals | |||||||||||||||||||||
Journal or Publication Title: | Physical Review B | |||||||||||||||||||||
Publisher: | APS | |||||||||||||||||||||
ISSN: | 2469-9950 | |||||||||||||||||||||
Official Date: | 1 March 2024 | |||||||||||||||||||||
Dates: |
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Volume: | 109 | |||||||||||||||||||||
Number: | 9 | |||||||||||||||||||||
Article Number: | 094107 | |||||||||||||||||||||
DOI: | 10.1103/PhysRevB.109.094107 | |||||||||||||||||||||
Status: | Peer Reviewed | |||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | |||||||||||||||||||||
Date of first compliant deposit: | 1 May 2024 | |||||||||||||||||||||
Date of first compliant Open Access: | 3 May 2024 | |||||||||||||||||||||
RIOXX Funder/Project Grant: |
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