强的声子-声子相互作用确保了异常的热电 Ge1-xSb xTe 与 Zn-合金诱导的带对齐
Min Hong1,2, Yuan Wang1, Tianli Feng3,4
1Centre for Future Materials , University of Southern Queensland , Springfield , Queensland 4300 , Australia.
Journal of the American Chemical Society
|December 29, 2018
概括
用 (Sb) 和 (Zn) 合金化 (GeTe),可显著降低热导率并优化电子带结构. 这一策略的高热电功率 (zT) 为2.2,为先进的热电材料铺平了道路.
科学领域:
- 材料科学
- 凝聚物质物理学
- 固态化学
背景情况:
- 热电材料的热导率下降通常归因于声子杂质散射.
- 了解合金对声子分散和电子带结构的影响对于优化热电性能至关重要.
研究的目的:
- 研究 (Sb) 和 (Zn) 合金对电 (GeTe) 的声子分散,带结构和热电特性的影响.
- 阐明替代原子影响格子导热和功率因子的机制.
- 为了达到高热电功率 (zT).
主要方法:
- 声子分散和带结构的计算建模.
- 合成和表征不同度的GeTe合金.
- 测量热导率,西贝克系数和电阻.
主要成果:
- 在GeTe中10%的Sb合金显著改变了语音分散,缩小了声光语音带间隙,增加了语音语音散射,并减少了语音语音群速度.
- 合金 (2-6%) 减少了价值带边缘之间的能量偏移,导致能量融合的价值带最大值.
- 优化的GeTe合金 (Ge0.86Sb0.1Zn0.04Te) 的功率系数高达40μW cm-1 K-2,峰值zT为2.2.
结论:
- 高度替代合金对声波带结构和散射产生深远影响,导致晶格导热率降低.
- 通过合金调节电子带结构的融合,提高了功率因子.
- 这项研究提供了一个设计高性能热电材料的框架,通过操纵声子和电子传输特性.
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