Phonon anharmonicity in bulk ZrTe5,Journal of Raman Spectroscopy

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Phonon anharmonicity in bulk ZrTe5
Journal of Raman Spectroscopy ( IF 2.4 ) Pub Date : 2021-10-05 , DOI: 10.1002/jrs.6261
Lihuan Xu ₁ , Wei Wang ₂ , Qiyun Xie ₁ , Chengxiang Hu ₁ , Limin Chen ₁ , Jiajin Zheng ₁ , Handi Yin ₃ , Guofeng Cheng ₃ , Xiaoqian Ai ₄

Affiliation

The study of phonon scattering processes is urgent for advancing the thermoelectric material with low thermal conductivity for commercial application. In this work, Raman scattering spectroscopy is utilized to quantify the temperature dependence of vibrational modes in ZrTe₅ crystals, which enables the investigation on anharmonic contributions. We mainly focus on the temperature range from 80 up to 400 K due to noticeable surface oxidation at higher temperature. The phonon behaviors can be fully described by the model considering two mechanisms of the lattice thermal expansion effects and intrinsic anharmonicity. The four-phonon processes are non-negligible and even stronger than the three-phonon processes at high temperature. The phonon lifetime is greatly reduced by the enhancement of phonon scattering, contributing to the low thermal conductivity in ZrTe₅ single crystals.

中文翻译：

ZrTe5 中的声子非谐性

声子散射过程的研究对于推动低热导率热电材料的商业应用具有迫切性。在这项工作中，拉曼散射光谱用于量化 ZrTe _{5中振动模式的温度依赖性}晶体，这使得研究非谐贡献成为可能。由于较高温度下明显的表面氧化，我们主要关注从 80 到 400 K 的温度范围。考虑晶格热膨胀效应和固有非谐性两种机制的模型可以充分描述声子行为。四声子过程在高温下是不可忽略的，甚至比三声子过程更强。_{声子散射的增强大大降低了声子的寿命，导致ZrTe 5}单晶的低热导率。

更新日期：2021-10-05

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