Suppressing the ferroelectric switching barrier in hybrid improper ferroelectrics

Shutong Li; Turan Birol

doi:10.1038/s41524-020-00436-x

Suppressing the ferroelectric switching barrier in hybrid improper ferroelectrics

Shutong Li, Turan Birol

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Abstract

Integration of ferroelectric materials into novel technological applications requires low coercive field materials, and consequently, design strategies to reduce the ferroelectric switching barriers. In this first principles study, we show that biaxial strain, which has a strong effect on the ferroelectric ground states, can also be used to tune the switching barrier of hybrid improper ferroelectric Ruddlesden–Popper oxides. We identify the region of the strain-tolerance factor phase diagram where this intrinsic barrier is suppressed, and show that it can be explained in relation to strain-induced phase transitions to nonpolar phases.

Original language	English (US)
Article number	168
Journal	npj Computational Materials
Volume	6
Issue number	1
DOIs	https://doi.org/10.1038/s41524-020-00436-x
State	Published - Dec 1 2020

Bibliographical note

Funding Information:
This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401. We acknowledge the Minnesota Supercomputing Institute (MSI) at the University of Minnesota for providing resources that contributed to the research results reported within this paper.

Keywords

cond-mat.mtrl-sci

MRSEC Support

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10.1038/s41524-020-00436-x

2009.12486v1

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N2 - Integration of ferroelectric materials into novel technological applications requires low coercive field materials, and consequently, design strategies to reduce the ferroelectric switching barriers. In this first principles study, we show that biaxial strain, which has a strong effect on the ferroelectric ground states, can also be used to tune the switching barrier of hybrid improper ferroelectric Ruddlesden–Popper oxides. We identify the region of the strain-tolerance factor phase diagram where this intrinsic barrier is suppressed, and show that it can be explained in relation to strain-induced phase transitions to nonpolar phases.

AB - Integration of ferroelectric materials into novel technological applications requires low coercive field materials, and consequently, design strategies to reduce the ferroelectric switching barriers. In this first principles study, we show that biaxial strain, which has a strong effect on the ferroelectric ground states, can also be used to tune the switching barrier of hybrid improper ferroelectric Ruddlesden–Popper oxides. We identify the region of the strain-tolerance factor phase diagram where this intrinsic barrier is suppressed, and show that it can be explained in relation to strain-induced phase transitions to nonpolar phases.

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Suppressing the ferroelectric switching barrier in hybrid improper ferroelectrics

Abstract

Bibliographical note

Keywords

MRSEC Support

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IRG-1: Ionic Control of Materials

University of Minnesota Materials Research Science and Engineering Center (DMR-2011401)