中国物理B ›› 2023, Vol. 32 ›› Issue (6): 66501-066501.doi: 10.1088/1674-1056/acbe2f

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Structural phase transition and transport properties in topological material candidate NaZn4As3

Qing-Xin Dong(董庆新)1,2, Bin-Bin Ruan(阮彬彬)1, Yi-Fei Huang(黄奕飞)1,2, Yi-Yan Wang(王义炎)4, Li-Bo Zhang(张黎博)1,2, Jian-Li Bai(白建利)1,2, Qiao-Yu Liu(刘乔宇)1,2, Jing-Wen Cheng(程靖雯)1,2, Zhi-An Ren(任治安)1,2,3, and Gen-Fu Chen(陈根富)1,2,3,†   

  1. 1 Institute of Physics and Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Sciences, Beijing 100190, China;
    2 School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China;
    3 Songshan Lake Materials Laboratory, Dongguan 523808, China;
    4 Institute of Physical Science and Information Technology, Anhui University, Hefei 230601, China
  • 收稿日期:2023-02-02 修回日期:2023-02-02 接受日期:2023-02-23 出版日期:2023-05-17 发布日期:2023-06-07
  • 通讯作者: Gen-Fu Chen E-mail:gfchen@iphy.ac.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11874417 and 12274440), the Strategic Priority Research Program (B) of Chinese Academy of Sciences (Grant No. XDB33010100), and the Fund from the Ministry of Science and Technology of China (Grant No. 2022YFA1403903).

Structural phase transition and transport properties in topological material candidate NaZn4As3

Qing-Xin Dong(董庆新)1,2, Bin-Bin Ruan(阮彬彬)1, Yi-Fei Huang(黄奕飞)1,2, Yi-Yan Wang(王义炎)4, Li-Bo Zhang(张黎博)1,2, Jian-Li Bai(白建利)1,2, Qiao-Yu Liu(刘乔宇)1,2, Jing-Wen Cheng(程靖雯)1,2, Zhi-An Ren(任治安)1,2,3, and Gen-Fu Chen(陈根富)1,2,3,†   

  1. 1 Institute of Physics and Beijing National Laboratory for Condensed Matter Physics, Chinese Academy of Sciences, Beijing 100190, China;
    2 School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China;
    3 Songshan Lake Materials Laboratory, Dongguan 523808, China;
    4 Institute of Physical Science and Information Technology, Anhui University, Hefei 230601, China
  • Received:2023-02-02 Revised:2023-02-02 Accepted:2023-02-23 Online:2023-05-17 Published:2023-06-07
  • Contact: Gen-Fu Chen E-mail:gfchen@iphy.ac.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11874417 and 12274440), the Strategic Priority Research Program (B) of Chinese Academy of Sciences (Grant No. XDB33010100), and the Fund from the Ministry of Science and Technology of China (Grant No. 2022YFA1403903).

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摘要： We report a comprehensive study on a layered-structure compound of NaZn4As3, which has been predicted to be an ideal topological semimetal (TSM) candidate. It is found that NaZn4As3 undergoes a structural transformation from high temperature rhombohedral to a low temperature monoclinic phase. The electric resistivity exhibits a metal-to-insulator-like transition at around 100 K, and then develops a plateau at low temperature, which might be related to the protected topologically conducting surface states. Our first-principles calculation confirms further that NaZn4As3 is a topological insulator (TI) for both different phases rather than a previously proposed TSM. The Hall resistivity reveals that the hole carriers dominate the transport properties for the whole temperature range investigated. Furthermore, an obvious kink possibly associated to the structure transition has been detected in thermopower around ～ 170 K. The large thermopower and moderate κ indicate that NaZn4As3 and /or its derivatives can provide a good platform for optimizing and studying the thermoelectric performance.

关键词: structural phase transition, thermoelectric, topological materials, crystal growth

Abstract: We report a comprehensive study on a layered-structure compound of NaZn4As3, which has been predicted to be an ideal topological semimetal (TSM) candidate. It is found that NaZn4As3 undergoes a structural transformation from high temperature rhombohedral to a low temperature monoclinic phase. The electric resistivity exhibits a metal-to-insulator-like transition at around 100 K, and then develops a plateau at low temperature, which might be related to the protected topologically conducting surface states. Our first-principles calculation confirms further that NaZn4As3 is a topological insulator (TI) for both different phases rather than a previously proposed TSM. The Hall resistivity reveals that the hole carriers dominate the transport properties for the whole temperature range investigated. Furthermore, an obvious kink possibly associated to the structure transition has been detected in thermopower around ～ 170 K. The large thermopower and moderate κ indicate that NaZn4As3 and /or its derivatives can provide a good platform for optimizing and studying the thermoelectric performance.

Key words: structural phase transition, thermoelectric, topological materials, crystal growth

中图分类号:  (Thermal properties of crystalline solids)

  • 65.40.-b
71.30.+h (Metal-insulator transitions and other electronic transitions) 75.47.-m (Magnetotransport phenomena; materials for magnetotransport) 81.10.-h (Methods of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)