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Atomic scale octahedral distortion and enhanced collective polarity underlying large polarization in ferroelectric perovskite oxides
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Xiali Lianga, b, Jian Wanga, b, *, Wanbiao Hua, b, c, d, **
Journal of Materiomics | 2026, 12(2) : 101159
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Journal of Materiomics | 2026, 12(2): 101159
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Atomic scale octahedral distortion and enhanced collective polarity underlying large polarization in ferroelectric perovskite oxides
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Xiali Lianga, b, Jian Wanga, b, *, Wanbiao Hua, b, c, d, **
Affiliations
  • aYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan University, Kunming, 650091, China
  • bElectron Microscopy Center, Yunnan University, Kunming, 650091, China
  • cSchool of Engineering, Yunnan University, Kunming, 650091, China
  • dSouthwest United Graduate School, Kunming, 650091, China
Published: 2026-03-20 doi: 10.1016/j.jmat.2025.101159
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Chemical doping represents a crucial and effective approach for controlling electricity and also many other properties, but the underlying mechanisms connecting dopant-induced structural evolutions to emergent functionalities remain incompletely understood. To address this knowledge gap, the atomiclevel mechanism of the enhanced electric polarization in a typical perovskite ferroelectric oxide BiFeO3 (BFO) is unveiled. B-site Mn-dopping, with bringing about atomic-level lattice and charge evolutions, clearly accelerates the local lattice distortion i.e. enhanced Fe/Mn displacement and (Fe/Mn)O6 octahedral rotation. This facilitates large-scale polarization orientation alignment to create the enhanced collective polarity while manifesting an overall ferroelectric polarization of up to ~160 μC/cm2. Local lattice distortion also promotes the Jahn-Teller effect because of the increasing proportion in Mn3+ (3d4 configuration) that could instigate symmetry-breaking stretching and bending distortions of (Fe/Mn)O6 octahedra with showing improved magnetic moments. Our findings uncover the ferroelectricity-enhanced origination and offer a new paradigm for principally designing ferroelectric functions.

BiFeO3  /  Ferroelectric  /  Lattice distortion  /  Chemical doping  /  STEM
Xiali Liang, Jian Wang, Wanbiao Hu. Atomic scale octahedral distortion and enhanced collective polarity underlying large polarization in ferroelectric perovskite oxides[J]. Journal of Materiomics, 2026 , 12 (2) : 101159 - . DOI: 10.1016/j.jmat.2025.101159
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Funding
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  • Natural Science Foundation of China(22175150; 52262019)
  • Yunnan Revitalization Talent Support Program(202501AV070011)
  • 16th Graduate Research and Innovation Project of Yunnan University(KC-24248468)
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Year 2026 volume 12 Issue 2
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Article Info
doi: 10.1016/j.jmat.2025.101159
  • Receive Date：2025-07-29
  • Online Date：2026-08-13
  • Published：2026-03-20
Article Data
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History
  • Received：2025-07-29
  • Revised：2025-10-16
  • Accepted：2025-11-03
Funding
Natural Science Foundation of China(22175150; 52262019)
Yunnan Revitalization Talent Support Program(202501AV070011)
16th Graduate Research and Innovation Project of Yunnan University(KC-24248468)
Affiliations
    aYunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan University, Kunming, 650091, China
    bElectron Microscopy Center, Yunnan University, Kunming, 650091, China
    cSchool of Engineering, Yunnan University, Kunming, 650091, China
    dSouthwest United Graduate School, Kunming, 650091, China

Corresponding:

* Yunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan University, Kunming, 650091, China. E-mail addresses: (J. Wang)
** Yunnan Key Laboratory of Electromagnetic Materials and Devices, National Center for International Research on Photoelectric and Energy Materials, School of Materials and Energy, Yunnan University, Kunming, 650091, China. (W. Hu).
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表12种不同金属材料的力学参数
科
Family		 属数
Number of
genus		 种数
Number of
species		 占总种数比例
Percentage of
total species (%)		 属
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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