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Superior ferroelectricity and nonlinear optical response in a hybrid germanium iodide hexagonal perovskite

Author

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  • Kun Ding

    (Southeast University
    Zhejiang Normal University)

  • Haoshen Ye

    (Southeast University)

  • Changyuan Su

    (Southeast University)

  • Yu-An Xiong

    (Southeast University)

  • Guowei Du

    (Southeast University)

  • Yu-Meng You

    (Southeast University)

  • Zhi-Xu Zhang

    (Southeast University
    Zhejiang Normal University)

  • Shuai Dong

    (Southeast University)

  • Yi Zhang

    (Zhejiang Normal University)

  • Da-Wei Fu

    (Zhejiang Normal University)

Abstract

Abundant chemical diversity and structural tunability make organic–inorganic hybrid perovskites (OIHPs) a rich ore for ferroelectrics. However, compared with their inorganic counterparts such as BaTiO3, their ferroelectric key properties, including large spontaneous polarization (Ps), low coercive field (Ec), and strong second harmonic generation (SHG) response, have long been great challenges, which hinder their commercial applications. Here, a quasi-one-dimensional OIHP DMAGeI3 (DMA = Dimethylamine) is reported, with notable ferroelectric attributes at room temperature: a large Ps of 24.14 μC/cm2 (on a par with BaTiO3), a low Ec below 2.2 kV/cm, and the strongest SHG intensity in OIHP family (about 12 times of KH2PO4 (KDP)). Revealed by the first-principles calculations, its large Ps originates from the synergistic effects of the stereochemically active 4s2 lone pair of Ge2+ and the ordering of organic cations, and its low kinetic energy barrier of small DMA cations results in a low Ec. Our work brings the comprehensive ferroelectric performances of OIHPs to a comparable level with commercial inorganic ferroelectric perovskites.

Suggested Citation

  • Kun Ding & Haoshen Ye & Changyuan Su & Yu-An Xiong & Guowei Du & Yu-Meng You & Zhi-Xu Zhang & Shuai Dong & Yi Zhang & Da-Wei Fu, 2023. "Superior ferroelectricity and nonlinear optical response in a hybrid germanium iodide hexagonal perovskite," Nature Communications, Nature, vol. 14(1), pages 1-8, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-38590-7
    DOI: 10.1038/s41467-023-38590-7
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    1. Ilya Grinberg & D. Vincent West & Maria Torres & Gaoyang Gou & David M. Stein & Liyan Wu & Guannan Chen & Eric M. Gallo & Andrew R. Akbashev & Peter K. Davies & Jonathan E. Spanier & Andrew M. Rappe, 2013. "Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials," Nature, Nature, vol. 503(7477), pages 509-512, November.
    2. Xitao Liu & Zhenyue Wu & Tong Guan & Haidong Jiang & Peiqing Long & Xiaoqi Li & Chengmin Ji & Shuang Chen & Zhihua Sun & Junhua Luo, 2021. "Giant room temperature electrocaloric effect in a layered hybrid perovskite ferroelectric: [(CH3)2CHCH2NH3]2PbCl4," Nature Communications, Nature, vol. 12(1), pages 1-7, December.
    3. Sachio Horiuchi & Yusuke Tokunaga & Gianluca Giovannetti & Silvia Picozzi & Hirotake Itoh & Ryo Shimano & Reiji Kumai & Yoshinori Tokura, 2010. "Above-room-temperature ferroelectricity in a single-component molecular crystal," Nature, Nature, vol. 463(7282), pages 789-792, February.
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    1. Chang-Chun Fan & Cheng-Dong Liu & Bei-Dou Liang & Wei Wang & Ming-Liang Jin & Chao-Yang Chai & Chang-Qing Jing & Tong-Yu Ju & Xiang-Bin Han & Wen Zhang, 2024. "Tuning ferroelectric phase transition temperature by enantiomer fraction," Nature Communications, Nature, vol. 15(1), pages 1-9, December.

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