Candidate ferroelectrics via ab initio high-throughput screening of polar materials

Abstract Ferroelectrics are a class of polar and switchable functional materials with diverse applications, from microelectronics to energy conversion. Computational searches for new ferroelectric materials have been constrained by accurate prediction of the polarization and switchability with elect...

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Bibliographic Details
Main Authors: Francesco Ricci, Sebastian E. Reyes-Lillo, Stephanie A. Mack, Jeffrey B. Neaton
Format: Article
Language:English
Published: Nature Portfolio 2024-01-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01193-3