Point-defect-driven flattened polar phonon bands in fluorite ferroelectrics

Abstract The scale-free ferroelectric polarization of fluorite MO2 (M = Hf, Zr) due to flat polar phonon bands are promising for nonvolatile memories. Defects are also widely introduced to improve the emergent ferroelectricity. However, their roles are still not fully understood at the atomic-level....

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Bibliographic Details
Main Authors: Pu Ai, Fengjun Yan, Wen Dong, Shi Liu, Junlei Zhao, Kan-Hao Xue, Syed Ul Hasnain Bakhtiar, Yilong Liu, Qi Ma, Ling Miao, Mengyuan Hua, Guangzu Zhang, Shenglin Jiang, Wei Luo, Qiuyun Fu
Format: Article
Language:English
Published: Nature Portfolio 2023-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01075-8