Polarization rotation in high-performance KNN-based piezoceramics revealed by an in situ electric field pair distribution functionOA
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 0.964K_(0.5)Na_(0.5)Nb_(0.965)Sb_(0.035)O_(3)-0.03(Bi_(0.5)Na_(0.5))_(0.9)(Ga_(0.5)Li_(0.5))_(0.1)ZrO_(3)-0.006BiFeO_(3) that has an exceptional piezoelectricity coefficient(d_(33)>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.
Yingying Yu;Fanyi Meng;Cheng Yang;Linda Qi;Changhao Zhao;Bo Wu;Mao-Hua Zhang
College of Safety Science and Engineering,Xi''an University of Science and Technology,Xi''an,710054,ChinaCollege of Safety Science and Engineering,Xi''an University of Science and Technology,Xi''an,710054,ChinaCollege of Safety Science and Engineering,Xi''an University of Science and Technology,Xi''an,710054,ChinaState Key Laboratory of Electrical Insulation and Power Equipment,Xi''an Jiaotong University,Xi''an,710049,ChinaState Key Laboratory of Electrical Insulation and Power Equipment,Xi''an Jiaotong University,Xi''an,710049,ChinaSichuan Province Key Laboratory of Information Materials,Southwest Minzu University,Chengdu,610225,ChinaWuzhen Laboratory,Jiaxing,314500,Zhejiang,China
化学化工
Potassium sodium niobatePair distribution functionPolarization rotationLocal structureReverse Monte Carlo
《Journal of Materiomics》 2026 (1)
P.218-228,11
support from the National Natural Science Foundation of China(No.52304250)Xi''an Youth Talent Lifting Plan(No.959202413071)China Postdoctoral Science Foundation(No.2023M732825)Shaanxi Postdoctoral Science Foundation(2023BSHTBZZ42)the support from National Natural Science Foundation of China(No.52307030)the support from National Natural Science Foundation of China(No.12474091)the Foundation of Sichuan Province Science and Technology Support Program(No.2025NSFJQ0026)the support from National Key R&D Program of China(No.2024YFF1400702)the National Natural Science Foundation of China(No.12574103).
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