IDEAS home Printed from https://ideas.repec.org/a/nat/natcom/v15y2024i1d10.1038_s41467-024-46895-4.html
   My bibliography  Save this article

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
    as

    Download full text from publisher

    File URL: https://www.nature.com/articles/s41467-024-46895-4
    File Function: Abstract
    Download Restriction: no

    File URL: https://libkey.io/10.1038/s41467-024-46895-4?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    References listed on IDEAS

    as
    1. Sangyeop Lee & Keivan Esfarjani & Tengfei Luo & Jiawei Zhou & Zhiting Tian & Gang Chen, 2014. "Resonant bonding leads to low lattice thermal conductivity," Nature Communications, Nature, vol. 5(1), pages 1-8, May.
    2. 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.
    3. 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.
    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.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Yilin Jiang & Jinfeng Dong & Hua-Lu Zhuang & Jincheng Yu & Bin Su & Hezhang Li & Jun Pei & Fu-Hua Sun & Min Zhou & Haihua Hu & Jing-Wei Li & Zhanran Han & Bo-Ping Zhang & Takao Mori & Jing-Feng Li, 2022. "Evolution of defect structures leading to high ZT in GeTe-based thermoelectric materials," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    2. T. H. Lee & S. R. Elliott, 2022. "Hypervalency in amorphous chalcogenides," Nature Communications, Nature, vol. 13(1), pages 1-12, December.
    3. Decheng An & Senhao Zhang & Xin Zhai & Wutao Yang & Riga Wu & Huaide Zhang & Wenhao Fan & Wenxian Wang & Shaoping Chen & Oana Cojocaru-Mirédin & Xian-Ming Zhang & Matthias Wuttig & Yuan Yu, 2024. "Metavalently bonded tellurides: the essence of improved thermoelectric performance in elemental Te," Nature Communications, Nature, vol. 15(1), pages 1-13, December.
    4. Jiawei Zhou & Hangtian Zhu & Qichen Song & Zhiwei Ding & Jun Mao & Zhifeng Ren & Gang Chen, 2022. "Mobility enhancement in heavily doped semiconductors via electron cloaking," Nature Communications, Nature, vol. 13(1), pages 1-10, December.
    5. 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.
    6. Shin-ichi Ohkoshi & Kosuke Nakagawa & Marie Yoshikiyo & Asuka Namai & Kenta Imoto & Yugo Nagane & Fangda Jia & Olaf Stefanczyk & Hiroko Tokoro & Junhao Wang & Takeshi Sugahara & Kouji Chiba & Kazuhiko, 2023. "Giant adiabatic temperature change and its direct measurement of a barocaloric effect in a charge-transfer solid," Nature Communications, Nature, vol. 14(1), pages 1-12, December.

    More about this item

    Statistics

    Access and download statistics

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-46895-4. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Sonal Shukla or Springer Nature Abstracting and Indexing (email available below). General contact details of provider: http://www.nature.com .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.