Evolution of defect structures leading to high ZT in GeTe-based thermoelectric materials

Yilin Jiang, Jinfeng Dong, Hua-Lu Zhuang, Jincheng Yu, Bin Su (), Hezhang Li, Jun Pei, Fu-Hua Sun, Min Zhou (), Haihua Hu, Jing-Wei Li, Zhanran Han, Bo-Ping Zhang, Takao Mori () and Jing-Feng Li ()
Additional contact information
Yilin Jiang: Tsinghua University
Jinfeng Dong: Tsinghua University
Hua-Lu Zhuang: Tsinghua University
Jincheng Yu: Tsinghua University
Bin Su: Tsinghua University
Hezhang Li: National Institute for Materials Science (NIMS)
Jun Pei: Tsinghua University
Fu-Hua Sun: Hubei Normal University
Min Zhou: Chinese Academy of Sciences
Haihua Hu: Tsinghua University
Jing-Wei Li: Tsinghua University
Zhanran Han: Tsinghua University
Bo-Ping Zhang: University of Science and Technology Beijing
Takao Mori: National Institute for Materials Science (NIMS)
Jing-Feng Li: Tsinghua University

Nature Communications, 2022, vol. 13, issue 1, 1-9

Abstract: Abstract GeTe is a promising mid-temperature thermoelectric compound but inevitably contains excessive Ge vacancies hindering its performance maximization. This work reveals that significant enhancement in the dimensionless figure of merit (ZT) could be realized by defect structure engineering from point defects to line and plane defects of Ge vacancies. The evolved defects including dislocations and nanodomains enhance phonon scattering to reduce lattice thermal conductivity in GeTe. The accumulation of cationic vacancies toward the formation of dislocations and planar defects weakens the scattering against electronic carriers, securing the carrier mobility and power factor. This synergistic effect on electronic and thermal transport properties remarkably increases the quality factor. As a result, a maximum ZT > 2.3 at 648 K and a record-high average ZT (300-798 K) were obtained for Bi0.07Ge0.90Te in lead-free GeTe-based compounds. This work demonstrates an important strategy for maximizing the thermoelectric performance of GeTe-based materials by engineering the defect structures, which could also be applied to other thermoelectric materials.

Date: 2022
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DOI: 10.1038/s41467-022-33774-z

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