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

doi:10.15541/jim20250041

Abstract

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₊_xAl_1-_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

CLC Number:

TB34

ZHENG Yuanshun, YU Jian, YE Xianfeng, LIANG Dong, ZHU Wanting, NIE Xiaolei, WEI Ping, ZHAO Wenyu, ZHANG Qingjie. Boosting the Thermoelectric Performance of Full-Heusler Fe₂VAl Alloy Via Substituting Al Site with V[J]. Journal of Inorganic Materials, DOI: 10.15541/jim20250041.

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

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