Intrinsically Low Lattice Thermal Conductivity and Anisotropic Thermoelectric Performance in In‐doped GeSb2Te4 Single Crystals

作者：Peng Chen, Hong Wu, Bin Zhang, Zizhen Zhou, Sikang Zheng, Lu Dai, Yufeng Huo, De Zhang, Yanci Yan, Kunling Peng, Guang Han, Xu Lu, Xiaoyuan Zhou, Guoyu Wang · 发表于：Advanced Functional Materials · 年份：2023 · DOI：10.1002/adfm.202211281 · 被引用次数：39 · 研究领域：Advanced Thermoelectric Materials and Devices、Phase-change materials and chalcogenides、Thermal properties of materials

Abstract Layer‐structured GeSb 2 Te 4 is a promising thermoelectric candidate, while its anisotropy of thermal and electrical transport properties is still not clear. In this study, Ge 1– x In x Sb 2 Te 4 single crystals are grown by Bridgman method, and their anisotropic thermoelectric properties are systematically investigated. Lower electrical conductivity and higher Seebeck coefficient are observed in the c ‐axis due to the higher effective mass in this direction. Intrinsically low lattice thermal conductivity is also observed in the c ‐axis due to the weak chemical bonding and the strong lattice anharmonicity proved by density functional theory calculation. Indium doping introduces an impurity band in the bandgap of GeSb 2 Te 4 and leads to the locally distorted density of states near the Fermi level, which contributes to enhanced Seebeck coefficient and improved power factor. Ultimately, a peak zT value of 1 at 673 K and an average zT value of 0.68 within 323–773 K are obtained in Ge 0.93 In 0.07 Sb 2 Te 4 along the c ‐axis direction, which are 54% and 79% higher than that of the pristine GeSb 2 Te 4 single crystal, respectively. This study clarified the origin of intrinsic low lattice thermal conductivity and anisotropy transport properties in GeSb 2 Te 4 , and shed light on the performance optimization of other layered thermoelectric materials.