论文标题

通过谐振X射线动力学衍射修订的热电材料中的声子散射机制

Phonon Scattering Mechanism in Thermoelectric Materials Revised via Resonant X-ray Dynamical Diffraction

论文作者

Valério, Adriana, Penacchio, Rafaela F. S., Estradiote, Maurício B., Cantarino, Marli R., Garcia, Fernando A., Morelhão, Sérgio L., Rafter, Niamh, Kycia, Stefan W., Calligaris, Guilherme A., Remédios, Cláudio M. R.

论文摘要

热电材料的工程需要了解晶格和电子自由度的热传导。填充的Skutterudites表示适用于热电应用的大型材料,其中减少了晶格热传导归因于结构大箱内内部填充阳离子的局部低频振动(嘎嘎声)。在这项工作中,提出并应用了一种多波长的方法,用于利用CEFE $ _4 $ P $ _ {12} $的单晶中的X射线动力学衍射的方法并应用以解析振动的原子振幅。结果表明,整个填充笼系统的振动动力学是热电学特性优化的实际活动机制。

Engineering of thermoelectric materials requires an understanding of thermal conduction by lattice and electronic degrees of freedom. Filled skutterudites denote a large family of materials suitable for thermoelectric applications where reduced lattice thermal conduction attributed to localized low-frequency vibrations (rattling) of filler cations inside large cages of the structure. In this work, a multi-wavelength method of exploiting X-ray dynamical diffraction in single crystals of CeFe$_4$P$_{12}$ is presented and applied to resolve the atomic amplitudes of vibrations. The results suggest that the vibrational dynamics of the whole filler-cage system is the actual active mechanism behind the optimization of thermoelectric properties.

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