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Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics

Author

Listed:
  • Jinfeng Zhu

    (Shanghai Jiao Tong University)

  • Qingyong Ren

    (Chinese Academy of Sciences
    Spallation Neutron Source Science Center
    Guangdong Provincial Key Laboratory of Extreme Conditions)

  • Chen Chen

    (Harbin Institute of Technology
    Great Bay University)

  • Chen Wang

    (The University of Hong Kong)

  • Mingfang Shu

    (Shanghai Jiao Tong University)

  • Miao He

    (High Magnetic Field Laboratory of Chinese Academy of Sciences (CHMFL), HFIPS, CAS
    University of Science and Technology of China)

  • Cuiping Zhang

    (Shanghai Jiao Tong University)

  • Manh Duc Le

    (Didcot)

  • Shuki Torri

    (High Energy Accelerator Research Organization (KEK), Tokai)

  • Chin-Wei Wang

    (National Synchrotron Radiation Research Center)

  • Jianli Wang

    (Jilin University
    University of Wollongong, Innovation Campus)

  • Zhenxiang Cheng

    (University of Wollongong, Innovation Campus)

  • Lisi Li

    (Chinese Academy of Sciences
    Spallation Neutron Source Science Center
    Guangdong Provincial Key Laboratory of Extreme Conditions)

  • Guohua Wang

    (Shanghai Jiao Tong University)

  • Yuxuan Jiang

    (Anhui University)

  • Mingzai Wu

    (Anhui University)

  • Zhe Qu

    (High Magnetic Field Laboratory of Chinese Academy of Sciences (CHMFL), HFIPS, CAS
    University of Science and Technology of China)

  • Xin Tong

    (Chinese Academy of Sciences
    Spallation Neutron Source Science Center
    Guangdong Provincial Key Laboratory of Extreme Conditions)

  • Yue Chen

    (The University of Hong Kong)

  • Qian Zhang

    (Harbin Institute of Technology
    Harbin Institute of Technology)

  • Jie Ma

    (Shanghai Jiao Tong University
    Collaborative Innovation Center of Advanced Microstructures)

Abstract

While phonon anharmonicity affects lattice thermal conductivity intrinsically and is difficult to be modified, controllable lattice defects routinely function only by scattering phonons extrinsically. Here, through a comprehensive study of crystal structure and lattice dynamics of Zintl-type Sr(Cu,Ag,Zn)Sb thermoelectric compounds using neutron scattering techniques and theoretical simulations, we show that the role of vacancies in suppressing lattice thermal conductivity could extend beyond defect scattering. The vacancies in Sr2ZnSb2 significantly enhance lattice anharmonicity, causing a giant softening and broadening of the entire phonon spectrum and, together with defect scattering, leading to a ~ 86% decrease in the maximum lattice thermal conductivity compared to SrCuSb. We show that this huge lattice change arises from charge density reconstruction, which undermines both interlayer and intralayer atomic bonding strength in the hierarchical structure. These microscopic insights demonstrate a promise of artificially tailoring phonon anharmonicity through lattice defect engineering to manipulate lattice thermal conductivity in the design of energy conversion materials.

Suggested Citation

  • Jinfeng Zhu & Qingyong Ren & Chen Chen & Chen Wang & Mingfang Shu & Miao He & Cuiping Zhang & Manh Duc Le & Shuki Torri & Chin-Wei Wang & Jianli Wang & Zhenxiang Cheng & Lisi Li & Guohua Wang & Yuxuan, 2024. "Vacancies tailoring lattice anharmonicity of Zintl-type thermoelectrics," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-46895-4
    DOI: 10.1038/s41467-024-46895-4
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    References listed on IDEAS

    as
    1. Qingyong Ren & Ji Qi & Dehong Yu & Zhe Zhang & Ruiqi Song & Wenli Song & Bao Yuan & Tianhao Wang & Weijun Ren & Zhidong Zhang & Xin Tong & Bing Li, 2022. "Ultrasensitive barocaloric material for room-temperature solid-state refrigeration," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
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    3. Wuyang Ren & Wenhua Xue & Shuping Guo & Ran He & Liangzi Deng & Shaowei Song & Andrei Sotnikov & Kornelius Nielsch & Jeroen Brink & Guanhui Gao & Shuo Chen & Yimo Han & Jiang Wu & Ching-Wu Chu & Zhimi, 2023. "Vacancy-mediated anomalous phononic and electronic transport in defective half-Heusler ZrNiBi," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    4. Zhiwei Chen & Binghui Ge & Wen Li & Siqi Lin & Jiawen Shen & Yunjie Chang & Riley Hanus & G. Jeffrey Snyder & Yanzhong Pei, 2017. "Vacancy-induced dislocations within grains for high-performance PbSe thermoelectrics," Nature Communications, Nature, vol. 8(1), pages 1-8, April.
    5. Qingyong Ren & Chenguang Fu & Qinyi Qiu & Shengnan Dai & Zheyuan Liu & Takatsugu Masuda & Shinichiro Asai & Masato Hagihala & Sanghyun Lee & Shuki Torri & Takashi Kamiyama & Lunhua He & Xin Tong & Cla, 2020. "Establishing the carrier scattering phase diagram for ZrNiSn-based half-Heusler thermoelectric materials," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
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