Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides

Clarke, Gabriel; Daisenberger, Dominik; Luo, X.; Cheong, S. W.; Bristowe, Nicholas C.; Senn, Mark S.

doi:10.1103/PhysRevB.109.094107

Pressure-dependent phase transitions in hybrid improper ferroelectric Ruddlesden-Popper oxides

Journal Article · Fri Mar 15 00:00:00 EDT 2024 · Physical Review. B

DOI:https://doi.org/10.1103/PhysRevB.109.094107· OSTI ID:2323974

; ; Luo, X.; Cheong, S. W.; Bristowe, Nicholas C.;

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 $a b i n i t i o$ study on the bilayered Ruddlesden-Popper phases ${Ca}_{3} {Mn}_{2} O_{7}$ and ${Ca}_{3} {Ti}_{2} O_{7}$ . 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 $A 2_{1} a m$ and nonpolar $A c a a$ 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.

Published by the American Physical Society 2024

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-07ER46382

OSTI ID:: 2323974

Alternate ID(s):: OSTI ID: 2579071

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 9 Vol. 109; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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