Lattice dynamics and high‐pressure properties of K‐ionic conducting system KNbTeO6,Journal of Raman Spectroscopy

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Lattice dynamics and high‐pressure properties of K‐ionic conducting system KNbTeO6
Journal of Raman Spectroscopy ( IF 2.4 ) Pub Date : 2020-10-26 , DOI: 10.1002/jrs.6018
Waldeci Paraguassu ₁ , Alexander V. Knyazev ₂ , Gregório B. Corrêa ₁ , A.G. Blokhina ₂ , D.N. Demidov ₂ , Angsula Ghosh ₃

Affiliation

In the present work, we report results of high‐pressure Raman scattering spectroscopy, on the ionic conducting system KNbTeO₆, as well as lattice dynamics calculations for this compound. From lattice dynamics calculation, we were able to do a definite assignment of modes for this system taking into account the disorder caused by random K occupation and shared occupation of Nb and Te ions. On the basis of the theoretical results, we discuss the changes observed in the high‐pressure Raman spectra. We report a transformation occurring around 4.7 GPa, attributed it to a structural phase transition. The Raman spectra during the decompression process reveals that all changes undergone by the structure are reversible, and the Raman spectrum recovers its original signature.

中文翻译：

钾离子导电体系KNbTeO6的晶格动力学和高压特性

在当前的工作中，我们报告了在离子传导系统KNbTeO ₆上高压拉曼散射光谱的结果，以及该化合物的晶格动力学计算。通过晶格动力学计算，我们能够确定该系统的模式分配，同时考虑了随机K占据以及Nb和Te离子的共享占据所引起的无序。在理论结果的基础上，我们讨论了在高压拉曼光谱中观察到的变化。我们报告了发生在4.7 GPa左右的转变，这归因于结构相变。减压过程中的拉曼光谱显示该结构经历的所有变化都是可逆的，并且拉曼光谱恢复了其原始特征。

更新日期：2020-12-10

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