在半斯勒热电材料中,强大的电子声波合和高晶格导热性
Ruoyu Wang1,2, Jianfeng Cai1,2, Qiang Zhang1,2
1Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201, China. liugq@nimte.ac.cn.
Physical chemistry chemical physics : PCCP
|March 4, 2024
概括
新兴的19电子半海斯勒化合物比传统的18电子材料具有较低的导热性. 这种差异源于由于额外的电子而导致的弱化的原子键,增强了声子散射和减少了热传输.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 热电学是一种热电学.
背景情况:
- 半斯勒化合物是有前途的热电材料.
- 传统的18电子半豪斯勒具有高功率因子,但具有高晶格导热率.
- 新兴的19电子半Heusler显示了显着较低的晶格导热率.
研究的目的:
- 从理论上阐明半斯勒热电材料的格子热传输差异.
- 为了解释19电子化合物与18电子化合物相比,其难以理解的低导热率.
主要方法:
- 电子带结构分析.
- 网格热传输的理论研究.
- 对原子结合和声子散射机制的研究.
主要成果:
- 18电子化合物中强大的d-d相互作用导致高晶格导热率.
- 在19电子化合物中,额外的电子削弱了原子键和凝聚能.
- 在19电子化合物中的软化声学声子增强了声子-声子散射,降低了晶格导热率.
- 人工18电子化合物V0.5Sc0.5CoSb与VCoSb相比,显示了网格导热率的增加.
结论:
- 价值电子的数量显著影响半斯勒热电学中的原子结合和声子传输.
- 在19电子化合物中,弱化的d-d抗结合状态是它们低导热性的关键.
- 了解电子 - 声子相互作用对于设计高效的热电材料至关重要.
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