Free-Carrier-Induced Ferroelectricity in Layered Perovskites

作者：S. Li, Turan Birol · 发表于：Physical Review Letters · 年份：2021 · DOI：10.1103/physrevlett.127.087601 · 被引用次数：30 · 研究领域：Ferroelectric and Piezoelectric Materials、Perovskite Materials and Applications、Multiferroics and related materials

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.