Free-Carrier-Induced Ferroelectricity in Layered Perovskites

Shutong Li, Turan Birol

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish (US)
Article number087601
JournalPhysical review letters
Volume127
Issue number8
DOIs
StatePublished - Aug 20 2021

Bibliographical note

Funding Information:
We acknowledge helpful suggestions of an anonymous referee for the discussion about . This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Grant No. 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 Letter.

Publisher Copyright:
© 2021 American Physical Society.

How much support was provided by MRSEC?

  • Primary

Reporting period for MRSEC

  • Period 2

PubMed: MeSH publication types

  • Journal Article

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