Tunable ferroelectricity in oxygen-deficient perovskites with Grenier structure

Abstract Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that R 1/3 A 2/3FeO2.67 solids (where R is a rare-earth ion and A an alkaline-earth cation) exhib...

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Bibliographic Details
Main Authors: Yongjin Shin, Giulia Galli
Format: Article
Language:English
Published: Nature Portfolio 2023-12-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01175-5