Origin of ultrahigh-performance barium titanate-based piezoelectrics: Stannum-induced intrinsic and extrinsic contributions

Bo Wu, Huijing Zheng, Yan-Qi Wu, Zhicheng Huang, Hao-Cheng Thong, Hong Tao, Jian Ma, Chunlin Zhao (), Ze Xu, Yi-Xuan Liu, Zhipeng Xing, Naixin Liang, Fang-Zhou Yao (), Chao-Feng Wu, Ke Wang and Bing Han ()
Additional contact information
Bo Wu: Southwest Minzu University
Huijing Zheng: Southwest Minzu University
Yan-Qi Wu: Tsinghua University
Zhicheng Huang: Chinese Academy of Medical Sciences and Peking Union Medical College
Hao-Cheng Thong: Tsinghua University
Hong Tao: Southwest Minzu University
Jian Ma: Southwest Minzu University
Chunlin Zhao: Fuzhou University
Ze Xu: Tsinghua University
Yi-Xuan Liu: Tsinghua University
Zhipeng Xing: Tsinghua University
Naixin Liang: Chinese Academy of Medical Sciences and Peking Union Medical College
Fang-Zhou Yao: Wuzhen Laboratory
Chao-Feng Wu: Yangtze Delta Region Institute of Tsinghua University
Ke Wang: Tsinghua University
Bing Han: Peking University School and Hospital of Stomatology

Nature Communications, 2024, vol. 15, issue 1, 1-9

Abstract: Abstract Despite the pivotal role of stannum doping in achieving ultrahigh piezoelectric performance in barium titanate-based ceramics, the fundamental mechanisms underlying this enhancement remain elusive. Here, we introduce a single variable nonstoichiometric stannum strategy in lead-free barium titanate-based ceramics with giant piezoelectricity, revealing that stannum doping contributes intrinsically and extrinsically to enhance piezoelectricity. Density functional theory calculations elucidate the intrinsic enhancement of polarization arising from lattice distortion and increased space for titanium-oxygen bonds induced by optimal stannum doping, which is corroborated by Rayleigh analysis. A phase transition from ferroelectric multiphase coexistence to paraelectric phase is observed, alongside a rapid miniaturized and eventually disappeared domains with increasing stannum doping. This evolution in phase structure and domain configuration induces a nearly vanishing polarization anisotropy and low domain wall energy, facilitating easy polarization rotation and domain wall motion, thereby significantly contributing to the extrinsic piezoelectric response. Consequently, the origins of ultrahigh performance can be attributed to the synergistic effect of stannum-induced intrinsic and extrinsic contributions in barium titanate-based ceramics. This study provides fundamental insights into the role of doping elements and offers guidance for the design of high-performance piezoelectrics.

Date: 2024
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DOI: 10.1038/s41467-024-52031-z

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