在SnSe中结构相变的奇怪案例从中子总分散的洞察力中获得的洞察力
Bo Jiang1,2, Jennifer Neu3,4,5,6, Daniel Olds1,7
1Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37830, USA.
Nature communications
|June 3, 2023
概括
锡化物 (SnSe) 在高温下表现出动态相变. 尽管对称性增加,但局部结构障碍仍然存在,这解释了其独特的热电特性.
科学领域:
- 材料科学 材料科学 材料科学
- 固态物理 固态物理
- 晶体学 晶体学是指结晶学.
背景情况:
- 锡化物 (SnSe) 在高温下从低对称的GeS型结构转变为高对称的TLI型结构.
- 预计这种结构过渡会增加晶格导热率,但实验数据显示情况不同.
研究的目的:
- 研究SnSe在相位过渡期间的局部和远程结构演变.
- 为了使观察到的热电特性与结构变化相协调.
主要方法:
- 飞行时间 (TOF) 中子总散射数据的温度依赖分析.
- 理论建模以探测局部和远程结构特征.
主要成果:
- 在过渡温度以上,SnSe在结构上以平均较高对称空间组为特征.
- 然而,在数个单元细胞的长度尺度上,SnSe保留了低对称的GeS型结构的特征.
- 这表明了一个动态的秩序-混乱阶段过渡.
结论:
- 在相变以上的SnSe中持续存在的局部障碍解释了异常的晶格导热率.
- 这种动态过渡模型与观察到的软音声行为保持一致,有助于高热电性能.
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