Chalcopyrite CuFeS₂ can be considered a promising thermoelectric material when its lattice thermal conductivity κ _lat is successfully reduced. We attempted to obtain fine microstructures of Zn-doped CuFeS₂ to reduce κ _lat while keeping its high power factor. A submicron scale grain size was achieved, and κ _lat was reduced by 47%, though the electrical resistivity was significantly increased. According to phonon calculations, we propose that a thin film form is a promising candidate to achieve further attenuation of κ _lat of CuFeS₂ without sacrificing electrical properties via precise control of thickness.

中文翻译：

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微观结构对热电黄铜矿 CuFeS2 晶格热导率的影响：实验和计算研究

当成功降低其晶格热导率κ _lat时，黄铜矿CuFeS ₂可以被认为是一种很有前途的热电材料。我们试图获得 Zn 掺杂的 CuFeS ₂的精细微观结构，以降低κ _lat，同时保持其高功率因数。实现了亚微米级晶粒尺寸，κ _lat降低了 47%，尽管电阻率显着增加。根据声子计算，我们提出薄膜形式是一种有希望的候选者，可以通过精确控制厚度在不牺牲电性能的情况下进一步衰减CuFeS _2的κ _{lat 。}