Structural phase transition and transport properties in topological material candidate NaZn4As3

doi:10.1088/1674-1056/acbe2f

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.

Keywords: structural phase transition thermoelectric topological materials crystal growth

Received: 02 February 2023
Revised: 02 February 2023
Accepted manuscript online: 23 February 2023

PACS:	65.40.-b	(Thermal properties of crystalline solids)
	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)

Fund: 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).

Corresponding Authors: Gen-Fu Chen
E-mail: gfchen@iphy.ac.cn

Cite this article:

Qing-Xin Dong(董庆新), Bin-Bin Ruan(阮彬彬), Yi-Fei Huang(黄奕飞), Yi-Yan Wang(王义炎), Li-Bo Zhang(张黎博), Jian-Li Bai(白建利), Qiao-Yu Liu(刘乔宇), Jing-Wen Cheng(程靖雯), Zhi-An Ren(任治安), and Gen-Fu Chen(陈根富) Structural phase transition and transport properties in topological material candidate NaZn₄As₃ 2023 Chin. Phys. B 32 066501

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Structural phase transition and transport properties in topological material candidate NaZn4As3

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Structural phase transition and transport properties in topological material candidate NaZn₄As₃