Giant ZT enhancement in rhombohedral GeTe-based thermoelectric materials.

Yu, Jincheng; Liu, Xiaodong; Jiang, Yilin; Chen, Chen; Li, Jing-Wei; Hu, Haihua; Song, Lin; Xie, Tian et al. · Nat Commun · 2026

basic_science · Level V

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Abstract

The peak figure of merit (ZT) of GeTe-based thermoelectric (TE) materials is typically attained in the high-temperature cubic phase, where the inevitable phase transition raises concerns over interfacial instability during operation. Therefore, developing high-performance rhombohedral GeTe below the phase transition temperature represents a more viable path toward practical applications. Herein, we propose a facile nanocomposite strategy to enhance the TE performance of rhombohedral GeTe by incorporating high-modulus TiB<sub>2</sub> nanoparticles into Ge<sub>0.94</sub>Bi<sub>0.05</sub>Te matrix. We demonstrate that the nanoparticle-induced interfacial constraint effect contributes to increasing longitudinal elastic modulus and decreasing equivalent deformation potential, accounting for improved carrier mobility. Additionally, these TiB<sub>2</sub> inclusions form heterogeneous interfaces that promote charge depletion and generate substantial thermal resistance, concurrently suppressing the heat transfer by carriers and phonons. Consequently, an extraordinary ZT of 2.66 at 613 K and a superior average ZT of 1.29 (300 ~ 613 K) are obtained in the rhombohedral GeTe-based composite. This work shows a paradigm for synergistically optimizing the electrical and thermal transports of emerging TE systems with nanoinclusions.