Compositional Fluctuations Locked by Athermal Transformation Yielding High Thermoelectric Performance in GeTe.

Tsai, Yi-Fen; Wei, Pai-Chun; Chang, Liuwen; Wang, Kuang-Kuo; Yang, Chun-Chuen; Lai, Yen-Chung; Hsing, Cheng-Rong; Wei, Ching-Ming et al. · Adv Mater · 2021

basic_science · Level V

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Abstract

Phase transition in thermoelectric (TE) material is a double-edged sword-it is undesired for device operation in applications, but the fluctuations near an electronic instability are favorable. Here, Sb doping is used to elicit a spontaneous composition fluctuation showing uphill diffusion in GeTe that is otherwise suspended by diffusionless athermal cubic-to-rhombohedral phase transition at around 700 K. The interplay between these two phase transitions yields exquisite composition fluctuations and a coexistence of cubic and rhombohedral phases in favor of exceptional figures-of-merit zT. Specifically, alloying GeTe by Sb<sub>2</sub> Te<sub>3</sub> significantly suppresses the thermal conductivity while retaining eligible carrier concentration over a wide composition range, resulting in high zT values of >2.6. These results not only attest to the efficacy of using phase transition in manipulating the microstructures of GeTe-based materials but also open up a new thermodynamic route to develop higher performance TE materials in general.