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One-step sintering enabled structural stability and defect suppression even in Fe-off-stoichiometric BiFeO3-BaTiO3 piezoceramics
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Shiyuan Zhang, Xingyuan Qi, Jinhao Hu, Xianxin Zhang, Mengping Xue, Bo-Ping Zhang*
Journal of Materiomics | 2026, 12(2) : 101158
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Journal of Materiomics | 2026, 12(2): 101158
One-step sintering enabled structural stability and defect suppression even in Fe-off-stoichiometric BiFeO3-BaTiO3 piezoceramics
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Shiyuan Zhang, Xingyuan Qi, Jinhao Hu, Xianxin Zhang, Mengping Xue, Bo-Ping Zhang*
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Published: 2026-03-20 doi: 10.1016/j.jmat.2025.101158
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BiFeO3-BaTiO3 lead-free piezoelectric ceramics exhibit superior piezoelectric properties while preserving a high Curie temperature. However, given the inherent Gibbs free energy law of BiFeO3, the system is difficult to avoid heterogeneous phases such as Bi25FeO39 and/or Bi2Fe4O9, which are accompanied by the volatilization of Bi3+ and the change of Fe3+, resulting in low insulating properties and high dielectric loss. These factors hinder the enhancement of polarizability and the overall performance at elevated temperatures and electric field conditions. The present study focuses on a highly leaky 0.75BiFeO3-0.25BaTiO3 ceramic, in which the Fe content is deliberately designed to be both severely excessive and deficient, and is prepared using a one-step low-temperature sintering process. It is noteworthy that the structural stability and defect suppression, even in this challenging system, are achieved via the one-step low-temperature sintering. This samples exhibit a distinctive self-tuning property and an excellent stability over a wide compositional range. First-principles density functional theory calculations and XPS analysis have for the first time confirmed that suppressing oxygen vacancies and Fe3+ valence states can reduce the concentration and mobility of hole carriers, thereby effectively reducing leakage current, with the mechanism shifting from ohmic conduction to space-charge-limited conduction. Even under the extreme compositional conditions of x = ± 5 and a low sintering temperature, the piezoelectric coefficients d33 reach 132 pC/N and 110 pC/N, respectively. These are significantly higher than those of the most stoichiometric 0.75BiFeO3-0.25BaTiO3 counterparts, setting a new performance record.

BiFeO3  /  BaTiO3  /  Fe off-stoichiometric  /  One-step low-temperature sintering  /  First-principles density-of-states  /  calculations
Shiyuan Zhang, Xingyuan Qi, Jinhao Hu, Xianxin Zhang, Mengping Xue, Bo-Ping Zhang. One-step sintering enabled structural stability and defect suppression even in Fe-off-stoichiometric BiFeO3-BaTiO3 piezoceramics[J]. Journal of Materiomics, 2026 , 12 (2) : 101158 - . DOI: 10.1016/j.jmat.2025.101158
  • National Natural Science Foundation of China(52032007)
  • National Key Research and Development Program(2022YFB3807400)
Year 2026 volume 12 Issue 2
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doi: 10.1016/j.jmat.2025.101158
  • Receive Date:2025-08-28
  • Online Date:2026-08-13
  • Published:2026-03-20
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  • Received:2025-08-28
  • Revised:2025-09-29
  • Accepted:2025-10-13
Funding
National Natural Science Foundation of China(52032007)
National Key Research and Development Program(2022YFB3807400)
Affiliations
    School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing, 100083, China

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* (B.-P. Zhang).
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表12种不同金属材料的力学参数

Family
属数
Number of
genus
种数
Number of
species
占总种数比例
Percentage of
total species (%)

Genus
种数
Number of
species
占总种数比例
Percentage of total
species (%)
鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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