Projects per year
Description
Doping ferroelectrics with carriers is often detrimental to polarization. This makes the design and discovery of metals that undergo a ferroelectric-like 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 ferroelectric-like phase via electrolyte gating.
Description
The first-principles simulation result of the paper "Free carrier induced ferroelectricity in layered perovskites", including: 1. Input and output for Vienna Ab initio Simulation Package. 2. Code for data analysis using Jupyter notebooks.
Description
The first-principles simulation result of the paper "Free carrier induced ferroelectricity in layered perovskites", including: 1. Input and output for Vienna Ab initio Simulation Package. 2. Code for data analysis using Jupyter notebooks.
Date made available | Jun 8 2021 |
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Publisher | Data Repository for the University of Minnesota |
Date of data production | Sep 1 2019 - May 1 2021 |
Projects
- 1 Active
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University of Minnesota Materials Research Science and Engineering Center (DMR-2011401)
Leighton, C. (PI) & Lodge, T. (CoI)
THE NATIONAL SCIENCE FOUNDATION
9/1/20 → 8/31/26
Project: Research project
Research output
- 1 Article
-
Free-Carrier-Induced Ferroelectricity in Layered Perovskites
Li, S. & Birol, T., Aug 20 2021, In: Physical review letters. 127, 8, 087601.Research output: Contribution to journal › Article › peer-review
23 Scopus citations