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无机材料学报

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V取代Al位提升全赫斯勒合金Fe2VAl的热电性能

郑元顺1, 余健2, 叶先峰1, 梁栋1, 朱婉婷1, 聂晓蕾1, 魏平1, 赵文俞1, 张清杰1   

  1. 1.武汉理工大学 材料复合新技术国家重点实验室,武汉 430070;
    2.九江学院 材料科学与工程学院,九江 332005
  • 收稿日期:2025-02-02 修回日期:2025-04-13
  • 通讯作者: 余 健, 副教授. yujian@jju.edu; 赵文俞, 教授. E-mail: wyzhao@whut.edu.cn
  • 作者简介:郑元顺 (1999-), 男, 硕士研究生. E-mail: yszheng@whut.edu.cn

Boosting the Thermoelectric Performance of Full-Heusler Fe2VAl Alloy Via Substituting Al Site with V

ZHENG Yuanshun1, YU Jian2, YE Xianfeng1, LIANG Dong1, ZHU Wanting1, NIE Xiaolei1, WEI Ping1, ZHAO Wenyu1, ZHANG Qingjie1   

  1. 1. State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan 430070, China;
    2. School of Materials Science and Engineering, Jiujiang University, Jiujiang 332005, China
  • Received:2025-02-02 Revised:2025-04-13
  • Contact: YU Jian, associate professor. E-mail: yujian@jju.edu; ZHAO Wenyu, professor. E-mail: wyzhao@whut.edu.cn
  • About author:ZHENG Yuanshun(1999-), male, Master candidate. E-mail: yszheng@whut.edu.cn
  • Supported by:
    National Natural Science Foundation of China (52130203, 92463310, 52201256); Guangdong Basic and Applied Basic Research Foundation (2022B1515120005)

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摘要： 全赫斯勒合金Fe2VAl具有较机械强度高、电输运性能好和组成元素地球丰度高的优势,受到热电领域的广泛关注。然而,该合金的高晶格热导率极大限制了热电优值（zT）的提升。本研究采用电弧熔炼法制备了一系列名义化学成分为 Fe2V1+xAl1-x（x = 0~0.21）的块体材料,系统研究了V取代Al位对物相组成、显微结构、能带结构和热电输运性能的影响。结果表明,所有材料均为部分无序的B2单相结构。V掺杂可将费米能级上移至导带,大幅度增大载流子浓度,并将功率因子提升至 4.5 mW·K-2·m-1。同时,由于质量与应力波动引起的声子散射作用增强,晶格热导率显著降低。最终,x=0.15 的材料最大zT达到0.14,与未掺杂Fe2VAl 材料相比,提升近280倍。该研究表明V取代Al位可以有效提升Fe2VAl合金的热电性能。

关键词: Fe2VAl基全赫斯勒合金, 反位缺陷, 显微结构, 热电性能

Abstract: Full-Heusler Fe2VAl alloy has received significant attention for thermoelectric applications due to its high mechanical strength, favorable electrical transport behavior, and earth-abundant constituent elements. However, its intrinsically high lattice thermal conductivity hinders the enhancement of the figure of merit (zT). In this study, a series of bulk materials with the nominal composition of Fe2V1+xAl1-x (x=0-0.21) were prepared by the arc-melting method. The effects of substituting Al site with V on the phase composition, microstructure, band structure, and thermoelectric transport properties were systematically investigated. All materials exhibit a single phase with a partially disordered B2 structure. V-doping shifts the Fermi level into the conduction band, significantly enhancing the carrier concentration, and resulting in a high power factor of 4.5 mW·K-2·m-1. Additionally, the lattice thermal conductivity is substantially reduced due to enhanced phonon scattering induced by the mass and stress fluctuations. Ultimately, maximum zT of 0.14 is achieved for the material with x = 0.15, which is nearly 280 times larger than that of undoped Fe2VAl. This work demonstrates that substituting Al site with V can effectively improve the thermoelectric performance of Fe2VAl alloy.

Key words: Fe2VAl-based full-Heusler alloy, antisite defect, microstructure, thermoelectric performance

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