Free-Carrier-Induced Ferroelectricity in Layered Perovskites

Shutong Li and Turan Birol
Phys. Rev. Lett. 127, 087601 – Published 18 August 2021
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Abstract

Doping ferroelectrics with carriers is often detrimental to polarization. This makes the design and discovery of metals that undergo a ferroelectriclike transition challenging. In this Letter, we show from first principles that the oxygen octahedral rotations in perovskites are often enhanced by electron doping, and this can be used as a means to strengthen the structural polarization in certain hybrid-improper ferroelectrics—compounds in which the polarization is not stabilized by the long-range Coulomb interactions but is instead induced by a trilinear coupling to octahedral rotations. We use this design strategy to predict a cation ordered Ruddlesden-Popper compound that can be driven into a metallic ferroelectriclike phase via electrolyte gating.

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  • Received 5 March 2021
  • Accepted 19 July 2021

DOI:https://doi.org/10.1103/PhysRevLett.127.087601

© 2021 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Shutong Li and Turan Birol*

  • Department of Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, USA

  • *tbirol@umn.edu

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Issue

Vol. 127, Iss. 8 — 20 August 2021

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