Lanthanide Contraction as a Design Factor for High-Performance Half-Heusler Thermoelectric Materials
Lanthanide Contraction as a Design Factor for High-Performance Half-Heusler Thermoelectric Materials
复制标题
镧系元素收缩作为高性能 Half-Heusler 热电材料的设计因素
DOI：
10.1002/adma.201800881
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发表时间：
2018-08-09
影响因子：
29.4
通讯作者：
Zhu, Tiejun
中科院分区：
文献类型：
--
作者：
Liu, Yintu;Fu, Chenguang;Zhu, Tiejun
形成固溶体作为提高热电性能的有效策略，存在合金散射同时降低热导率和载流子迁移率的困境。在这里，提出了一种直观的方法来解耦相反的效果，即使用镧系收缩作为设计因素，以选择具有大的质量波动，但与主机原子的半径差小的合金原子。典型的半赫斯勒合金，n型（Zr，Hf）NiSn和p型（Nb，Ta）FeSb固溶体，被视为范例，以证明这种设计策略的有效性，表现出极大地抑制晶格热导率和保持载流子迁移率。此外，通过考虑镧系收缩，开发了具有接近1.0的高zT的n型（Zr，Hf）CoSb基合金。这些结果突出了镧系元素收缩作为提高热电性能的设计因素的重要性，并揭示了由于匹配的n型和p型热电性能，（Zr，Hf）CoSb基半赫斯勒化合物的实际潜力。
Forming solid solutions, as an effective strategy to improve thermoelectric performance, has a dilemma that alloy scattering will reduce both the thermal conductivity and carrier mobility. Here, an intuitive way is proposed to decouple the opposite effects, that is, using lanthanide contraction as a design factor to select alloying atoms with large mass fluctuation but small radius difference from the host atoms. Typical half-Heusler alloys, n-type (Zr,Hf)NiSn and p-type (Nb,Ta)FeSb solid solutions, are taken as paradigms to attest the validity of this design strategy, which exhibit greatly suppressed lattice thermal conductivity and maintained carrier mobility. Furthermore, by considering lanthanide contraction, n-type (Zr,Hf)CoSb-based alloys with high zT of approximate to 1.0 are developed. These results highlight the significance of lanthanide contraction as a design factor in enhancing the thermoelectric performance and reveal the practical potential of (Zr,Hf)CoSb-based half-Heusler compounds due to the matched n-type and p-type thermoelectric performance.