Conventional Half-Heusler alloys advance state-of-the-art thermoelectric properties

被引：17
作者：
Mitra M. [1 ]
Benton A. [2 ]
Akhanda M.S. [3 ]
Qi J. [1 ]
Zebarjadi M. [3 ,4 ]
Singh D.J. [5 ]
Poon S.J. [1 ,4 ]
机构：
[1] Department of Physics, University of Virginia, Charlottesville, 22904, VA
[2] Department of Physics & Astronomy, Clemson University, Clemson, 29631, SC
[3] Department of Electrical Engineering, University of Virginia, Charlottesville, 22904, VA
[4] Department of Material Science & Eng., University of Virginia, Charlottesville, 22904, VA
[5] Department of Physics & Astronomy, University of Missouri, Columbia, 65211, MO
来源：
Materials Today Physics | 2022年 / 28卷
关键词：
D O I：
10.1016/j.mtphys.2022.100900
中图分类号：
学科分类号：
摘要：
Half-Heusler phases have garnered much attention as thermally stable and non-toxic thermoelectric materials for power conversion in the mid-to-high temperature domain. The most studied half-Heusler alloys to date utilize the refractory metals Hf, Zr, and Ti as principal components. These alloys can quite often achieve a moderate dimensionless figure of merit, ZT, near 1. Recent studies have advanced the thermoelectric performance of half-Heusler alloys by employing nanostructures and novel compositions to achieve larger ZT, reaching as high as 1.5. Herein, we report that traditional alloying techniques applied to the conventional HfZr-based half-Heusler alloys can also lead to exceptional ZT. Specifically, we present the well-studied p-type Hf0.3Zr0·7CoSn0·3Sb0.7 alloys, previously reported to have a ZT near 0.8, resonantly doped with less than 1 atomic percent of metallic Al on the Sn/Sb site, touting a remarkable ZT near 1.5 at 980 K. This is achieved through a significant increase in power factor, by ∼65%, and a notable but appreciably smaller decrease in thermal conductivity, by ∼13%, at high temperatures. These favorable thermoelectric properties are discussed in terms of a local anomaly in the density of states near the Fermi energy designed to enhance the Seebeck coefficient, as revealed by first-principles calculations, as well as the emergence of a highly heterogeneous grain structure that can scatter phonons across different length scales, effectively suppressing the lattice thermal conductivity. Consequently, the effective mass is significantly enhanced from ∼7 to 10me within a single parabolic band model, consistent with the result from first-principles calculations. The discovery of high ZT in a commonly studied half-Heusler alloy obtained through a conventional and non-complex approach opens a new path for further discoveries in similar types of alloys. Furthermore, it is reasonable to believe that the present study will reinvigorate effort in the exploration of high thermoelectric performance in conventional alloy systems. © 2022 The Author(s)
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[1]  
He S., Li Y., Liu L., Jiang Y., Feng J., Zhu W., Zhang J., Dong Z., Deng Y., Luo J., Zhang W., Chen G., Semiconductor glass with superior flexibility and high room temperature thermoelectric performance, Sci. Adv., 6, (2020)
[2]  
Bu Z., Zhang X., Hu Y., Chen Z., Lin S., Li W., Xiao C., Pei Y., A record thermoelectric efficiency in tellurium-free modules for low-grade waste heat recovery, Nat. Commun., 13, (2022)
[3]  
He J., Tritt T.M., Advances in thermoelectric materials research: looking back and moving forward, Science, 357, 6358, (2017)
[4]  
Wei J., Yang L., Ma Z., Song P., Zhang M., Ma J., Yang F., Wang X., Review of current high-ZT thermoelectric materials, J. Mater. Sci., 55, pp. 12642-12704, (2020)
[5]  
Quinn R.J., Bos J.W.G., Advances in half-Heusler alloys for thermoelectric power generation, Mater. Adv., 2, (2021)
[6]  
Poon S.J., Half Heusler compounds: promising materials for mid-to-high temperature thermoelectric conversion, J. Phys. D Appl. Phys., 52, (2019)
[7]  
Naydenov G.A., Hasnip P.J., Lazarov V.K., Probert M.I.J., Huge power factor in p-type half-Heusler alloys NbFeSb and TaFeSb, J. Phys.: Mater., 2, (2019)
[8]  
Chen S., Ren Z., Recent progress of half-Heusler for moderate temperature thermoelectric applications, Mater. Today, 16, pp. 387-395, (2013)
[9]  
Bartholome K., Balke B., Zuckermann D., Koehne M., Mueller M., Tarantik K., Koenig J., Thermoelectric modules based on Half-Heusler materials produced in large quantities, J. Electron. Mater., 43, pp. 1775-1781, (2014)
[10]  
Gurth M., Rogl G., Romaka V.V., Grytsiv A., Bauer E., Rogl P., Thermoelectric high ZT half-Heusler alloys Ti1−x−yZrxHfyNiSn (0 ≤ x ≤ 1
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