CuInTe is the focus of much research interest in I-III-VI diamondoid compounds due to its potentially high thermoelectric performance. However, its unmatched transport behaviors among electrical and thermal properties seriously impede enhanced thermoelectric performance. In this work, we demonstrate that high pressure can dual-optimize the electrical and thermal transport properties, leading to enhanced thermoelectric performance in CuInTe with cationic defects. The results indicate that the carrier concentration level is increased while greatly enhancing carrier mobility owing to the influence of high pressure on the band and electronic structures, realizing an excellent power factor of 1406 μWmK. Furthermore, high-pressure treatments and cationic defects can introduce multiple defect structures with various sizes, strongly scattering full-frequency phonons to reduce lattice thermal conductivity. With these great merits enabled by high pressure, the thermoelectric performance of CuInTe with cationic defects is improved and a maximum of 1.12 is obtained at 773 K, fully verifying the advantages of high-pressure treatments in terms of improving transport properties.

中文翻译：

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通过高压处理 CuInTe2 热电材料实现输运性能的双重优化

CuInTe 由于其潜在的高热电性能而成为 I-III-VI 类金刚石化合物研究的焦点。然而，其电学和热学性质之间不匹配的输运行为严重阻碍了热电性能的提高。在这项工作中，我们证明高压可以双重优化电和热传输性能，从而提高具有阳离子缺陷的 CuInTe 的热电性能。结果表明，由于高压对能带和电子结构的影响，载流子浓度水平增加，同时大大提高了载流子迁移率，实现了1406 μWmK的优异功率因数。此外，高压处理和阳离子缺陷会引入多种尺寸的缺陷结构，强烈散射全频声子，从而降低晶格热导率。借助高压的这些巨大优点，具有阳离子缺陷的CuInTe的热电性能得到改善，并在773 K时获得最大值1.12，充分验证了高压处理在改善输运性能方面的优势。