@article{Yu2026, 
author = {Yingying Yu and Fanyi Meng and Cheng Yang and Linda Qi and Changhao Zhao and Bo Wu and Mao-Hua Zhang},
title = {Polarization rotation in high-performance KNN-based piezoceramics revealed by an in situ electric field pair distribution function},
year = {2026},
journal = {Journal of Materiomics},
volume = {12},
number = {1},
keywords = {Reverse Monte Carlo, Potassium sodium niobate, Polarization rotation, Local structure, Pair distribution function},
url = {https://www.sciopen.com/article/10.1016/j.jmat.2025.101130},
doi = {10.1016/j.jmat.2025.101130},
abstract = {Understanding the atomic-scale structural dynamics that enable ultrahigh piezoelectric responses in lead-free piezoceramics remains a central challenge in materials science. Here, we employ in situ electric field pair distribution function (PDF) analysis to elucidate the local structural origin of a KNN-based piezoceramic with a nominal composition of 0.964K0.5Na0.5Nb0.965Sb0.035O3–0.03(Bi0.5Na0.5)0.9(Ga0.5Li0.5)0.1ZrO3–0.006BiFeO3 that has an exceptional piezoelectricity coefficient (d33 > 500 pC/N). Combined Rietveld refinement, PDF fitting, and reverse Monte Carlo simulations revealed the coexistence of long-range tetragonal and orthorhombic phases with local c-type monoclinic symmetry. In situ electric field PDF analyses indicated a reversible polarization rotation between the <001>PC and <110>PC directions via a monoclinic plane, with a critical switching field of approximately 0.4 kV/mm. These findings establish polarization rotation, rather than abrupt phase transitions, as the governing mechanism for the enhanced piezoresponse, providing a structural design principle for next-generation lead-free piezoelectrics.}
}