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Charge transfer drives anomalous phase transition in ceria

Author

Listed:
  • He Zhu

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

  • Chao Yang

    (Beijing Institute of Technology)

  • Qiang Li

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

  • Yang Ren

    (X-Ray Science Division, Argonne National Laboratory)

  • Joerg C. Neuefeind

    (Chemical and Engineering Materials Division, Oak Ridge National Laboratory)

  • Lin Gu

    (Chinese Academy of Science)

  • Huibiao Liu

    (Institute of Chemistry, Chinese Academy of Sciences)

  • Longlong Fan

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

  • Jun Chen

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

  • Jinxia Deng

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

  • Na Wang

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

  • Jiawang Hong

    (Beijing Institute of Technology)

  • Xianran Xing

    (University of Science and Technology Beijing
    University of Science and Technology Beijing)

Abstract

Ceria has conventionally been thought to have a cubic fluorite structure with stable geometric and electronic properties over a wide temperature range. Here we report a reversible tetragonal (P42/nmc) to cubic (Fm-3m) phase transition in nanosized ceria, which triggers negative thermal expansion in the temperature range of −25 °C–75 °C. Local structure investigations using neutron pair distribution function and Raman scatterings reveal that the tetragonal phase involves a continuous displacement of O2− anions along the fourfold axis, while the first-principles calculations clearly show oxygen vacancies play a pivotal role in stabilizing the tetragonal ceria. Further experiments provide evidence of a charge transfer between oxygen vacancies and 4f orbitals in ceria, which is inferred to be the mechanism behind this anomalous phase transition.

Suggested Citation

  • He Zhu & Chao Yang & Qiang Li & Yang Ren & Joerg C. Neuefeind & Lin Gu & Huibiao Liu & Longlong Fan & Jun Chen & Jinxia Deng & Na Wang & Jiawang Hong & Xianran Xing, 2018. "Charge transfer drives anomalous phase transition in ceria," Nature Communications, Nature, vol. 9(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:9:y:2018:i:1:d:10.1038_s41467-018-07526-x
    DOI: 10.1038/s41467-018-07526-x
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    Cited by:

    1. Ge Li & Donggang Xie & Qinghua Zhang & Mingzhen Zhang & Zhuohui Liu & Zheng Wang & Jiahui Xie & Erjia Guo & Meng He & Can Wang & Lin Gu & Guozhen Yang & Kuijuan Jin & Chen Ge, 2025. "Interface-engineered non-volatile visible-blind photodetector for in-sensor computing," Nature Communications, Nature, vol. 16(1), pages 1-10, December.

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