Superior electron transport in the single-crystalline TiCoSb-based half-Heuslers

作者：Sheng Ye, Shizhen Zhi, Xiaojing Ma, Xin Bao, Peng Zhao, Jinxuan Cheng, Sichen Duan, Chenhao Lin, Zuoxu Wu, Shanquan Chen, Jiamin Qiu, Li Yin, Xuanhe Zhang, Yifan Zhou, Feng Jiang, Zuhuang Chen, Feng Cao, Yuhao Fu, Qian Zhang, Jun Mao · 发表于：Nature Communications · 年份：2025 · DOI：10.1038/s41467-025-56961-0 · 被引用次数：41 · 研究领域：Advanced Thermoelectric Materials and Devices、Heusler alloys: electronic and magnetic properties、Topological Materials and Phenomena

CoSb. In addition, Hf alloying results in the expansion of the weighted scattering phase space and enhances the anharmonic scattering rate, thereby effectively suppressing the lattice thermal conductivity. Eventually, co-doping of Nb/Ta and alloying of Hf effectively elevate the thermoelectric performance of TiCoSb single crystal, and a peak zT above 1.0 has been realized, which outperforms the previously reported polycrystalline (Ti, Zr, Hf)CoSb-based and ZrCoBi-based materials. Importantly, a single leg of TiCoSb-based single crystals exhibits a heat-to-electricity energy conversive efficiency of ~10.2% at a temperature difference of 700 K. Here, our findings reveal the promise of TiCoSb-based single crystals for thermoelectric power generation, and can potentially guide the future explorations of other single-crystalline half-Heuslers.