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Stabilizing hidden room-temperature ferroelectricity via a metastable atomic distortion pattern

Author

Listed:
  • Jeong Rae Kim

    (Center for Correlated Electron Systems, Institute for Basic Science (IBS)
    Seoul National University)

  • Jinhyuk Jang

    (Pohang University of Science and Technology (POSTECH))

  • Kyoung-June Go

    (Pohang University of Science and Technology (POSTECH))

  • Se Young Park

    (Center for Correlated Electron Systems, Institute for Basic Science (IBS)
    Seoul National University
    Soongsil University)

  • Chang Jae Roh

    (Gwangju Institute of Science and Technology (GIST))

  • John Bonini

    (Rutgers University)

  • Jinkwon Kim

    (Center for Correlated Electron Systems, Institute for Basic Science (IBS)
    Seoul National University)

  • Han Gyeol Lee

    (Center for Correlated Electron Systems, Institute for Basic Science (IBS)
    Seoul National University)

  • Karin M. Rabe

    (Rutgers University)

  • Jong Seok Lee

    (Gwangju Institute of Science and Technology (GIST))

  • Si-Young Choi

    (Pohang University of Science and Technology (POSTECH))

  • Tae Won Noh

    (Center for Correlated Electron Systems, Institute for Basic Science (IBS)
    Seoul National University)

  • Daesu Lee

    (Pohang University of Science and Technology (POSTECH)
    Asia Pacific Center for Theoretical Physics)

Abstract

Nonequilibrium atomic structures can host exotic and technologically relevant properties in otherwise conventional materials. Oxygen octahedral rotation forms a fundamental atomic distortion in perovskite oxides, but only a few patterns are predominantly present at equilibrium. This has restricted the range of possible properties and functions of perovskite oxides, necessitating the utilization of nonequilibrium patterns of octahedral rotation. Here, we report that a designed metastable pattern of octahedral rotation leads to robust room-temperature ferroelectricity in CaTiO3, which is otherwise nonpolar down to 0 K. Guided by density-functional theory, we selectively stabilize the metastable pattern, distinct from the equilibrium pattern and cooperative with ferroelectricity, in heteroepitaxial films of CaTiO3. Atomic-scale imaging combined with deep neural network analysis confirms a close correlation between the metastable pattern and ferroelectricity. This work reveals a hidden but functional pattern of oxygen octahedral rotation and opens avenues for designing multifunctional materials.

Suggested Citation

  • Jeong Rae Kim & Jinhyuk Jang & Kyoung-June Go & Se Young Park & Chang Jae Roh & John Bonini & Jinkwon Kim & Han Gyeol Lee & Karin M. Rabe & Jong Seok Lee & Si-Young Choi & Tae Won Noh & Daesu Lee, 2020. "Stabilizing hidden room-temperature ferroelectricity via a metastable atomic distortion pattern," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    • Handle: RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-18741-w
    DOI: 10.1038/s41467-020-18741-w
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    Cited by:

    1. Jie Yin & Xiaoming Shi & Hong Tao & Zhi Tan & Xiang Lv & Xiangdong Ding & Jun Sun & Yang Zhang & Xingmin Zhang & Kui Yao & Jianguo Zhu & Houbing Huang & Haijun Wu & Shujun Zhang & Jiagang Wu, 2022. "Deciphering the atomic-scale structural origin for large dynamic electromechanical response in lead-free Bi0.5Na0.5TiO3-based relaxor ferroelectrics," Nature Communications, Nature, vol. 13(1), pages 1-9, December.

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