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 |
Externally published | Yes |
Bibliographical note
Publisher Copyright:© 2021 American Physical Society.