Journal of Inorganic Materials

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Machine Learning-Assisted Design of High-Temperature BSPT-Based Piezoelectric Ceramics with Enhanced Dual Properties

ZUO Zhiping1,2, GUO Chun1,2, ZHOU Zhiyong1   

  1. 1. State Key Laboratory of High Performance Ceramics, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 201899, China;
    2. Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
  • Received:2026-01-12 Revised:2026-02-27
  • About author:ZUO Zhiping (2001-), male, PhD candidate. E-mail: zuozhiping23@mails.ucas.ac.cn
  • Supported by:
    Strategic Priority Research Program of the Chinese Academy of Sciences (XDA0380302)

Abstract: BiScO3- PbTiO3 (BSPT)-based piezoelectric ceramics have emerged as one of the most promising candidates for high-temperature piezoelectric applications above 350 ℃ due to their high Curie temperature (TC) and large piezoelectric coefficient (d33). However, the conventional trial-and-error approach is inefficient for the rapid design of high-temperature piezoelectric ceramics across a wide compositional space. In this work, we developed a machine learning model trained on a small dataset and integrated it ed with experimental knowledge, to accelerate the design of BSPT-based ceramics with simultaneously high piezoelectricity and high Curie temperature. Guided by the trained model, we designed Ga-W ion-pair co-doped 0.36BiScO3-0.64PbTi1-x(Ga2/3W1/3)xO3 (BSPTGW1000x) ceramics. The results demonstrated that this doping strategy significantly modified the lattice distortion and domain structures of BSPT-based ceramics, leading to enhanced piezoelectric performance. Among the compositions, BSPTGW10 (x = 0.010) exhibited the best overall properties (d33 = 525 pC/N, TC = 423 ℃), which were in close agreement with the predicted values. Moreover, its piezoelectric coefficient remained within ±15% variation up to 365 ℃, indicating excellent thermal stability. This study not only provides an effective approach for the rapid discovery of BSPT-based ceramics with dual high-performance characteristics, but also yields a promising piezoelectric ceramic material suitable for high-temperature applications. The datasets in this article are listed in Science Data Bank: https://www.doi.org/10.57760/sciencedb.27980.

Key words: machine learning, BiScO3-PbTiO3, high-temperature piezoelectric materials, data-driven design, ion-pair co-doping

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