钻形固体溶液中的银原子离心导致晶体变形并抑制格子导热性
Hongyao Xie1, Zhi Li2, Yukun Liu2
1Department of Chemistry, Northwestern University, Evanston, Illinois 60208, United States.
Journal of the American Chemical Society
|January 26, 2023
概括
由于原子扭曲,I-III-VI2钻形半导体中的银合金显著降低了导热性. 这使得新型高性能热电材料的开发成为可能.
科学领域:
- 材料科学
- 固态物理
- 半导体研究
背景情况:
- I-III-VI2类的形化合物是光电子领域的关键半导体.
- 了解热传输对于评估热电潜力至关重要.
研究的目的:
- 在CuGa1-xInxTe2和Cu1-xAgxGaTe2中研究热传输.
- 开发一个钻石状固体溶液导热的预测模型.
- 评估Cu1-xAgxGaTe2作为p型热电材料.
主要方法:
- 热传输性能的详细研究.
- 将合金散射和离中心效应集成到Klemens模型中.
- 对热电性能进行实验评估.
主要成果:
- 在Cu1-xAgxGaTe2中的Ag合金会导致晶体学扭曲和强烈的声子散射.
- 在Ag合金溶液中观察到极低的晶格导热率.
- 一个经过修改的克莱门斯模型成功地预测了导热性.
- 在850K时获得Cu0.58Ag0.4GaTe2的最大热电功率 (ZT) 为1.23.
结论:
- 银原子脱中心是降低这些材料导热性的关键机制.
- 修改后的克莱门斯模型为钻形固体溶液提供了有效的预测工具.
- Cu1-xAgxGaTe2 固体溶液作为高效的p型热电材料具有显著的前景.
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