Projects per year
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 language | English (US) |
|---|---|
| Article number | 087601 |
| Journal | Physical review letters |
| Volume | 127 |
| Issue number | 8 |
| DOIs | |
| State | Published - 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.
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PubMed: MeSH publication types
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Dive into the research topics of 'Free-Carrier-Induced Ferroelectricity in Layered Perovskites'. Together they form a unique fingerprint.Projects
- 2 Active
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IRG-1: Ionic Control of Materials
Leighton, C. (Leader), Birol, T. (Senior Investigator), Fernandes, R. M. (Senior Investigator), Frisbie, D. (Senior Investigator), Greven, M. (Senior Investigator), Jalan, B. (Senior Investigator), Mkhoyan, A. (Senior Investigator), Walter, J. (Senior Investigator) & Wang, X. (Senior Investigator)
9/1/20 → …
Project: Research project
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University of Minnesota Materials Research Science and Engineering Center (DMR-2011401)
Bates, F. S. (PI), Calabrese, M. A. (PI), Ellison, C. J. (PI), Ferry, V. E. (PI), Flannigan, D. J. (PI), Frisbie, D. (PI), Frontiera, R. R. (PI), Greven, M. (PI), Haynes, C. L. (PI), Head-Marsden, K. M. (PI), Ilic, O. (PI), Jalan, B. (PI), Lamb, J. R. (PI), Leighton, C. (PI), Lodge, T. (PI), Low, T. (PI), Mahanthappa, M. (PI), Mkhoyan, A. (PI), Reineke, T. M. (PI), Roman, A. J. (PI), Sarupria, S. (PI), Stoerzinger, K. A. (PI), Walker, L. M. (PI), Wang, X. (PI), Xiong, B. (PI), Holmes, R. J. (Key Personnel), Oh, S.-H. (Key Personnel), Martiniani, S. (Prior Principal Investigator) & Wang, K. (Prior Principal Investigator)
THE NATIONAL SCIENCE FOUNDATION
9/1/20 → 8/31/27
Project: Research project
Datasets
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Simulation data from: Free carrier induced ferroelectricity in layered perovskites
Birol, T. & Li, S., Data Repository for the University of Minnesota, Jun 8 2021
DOI: 10.13020/wxmc-x946 , https://conservancy.umn.edu/handle/11299/220312
Dataset
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