Theoretical study of the thermal characteristics of clathrates induced by symmetry breaking

在网状笼子中与客体离子形成的笼状化合物的热学性质有很大的不同，特别是偏心客体离子的存在。在这项研究中，通过对计算的振荡型声子激发谱的研究，揭示了具有偏心客体离子的笼状结构的类玻璃特征与由偏心的客体离子产生的振荡型声子之间的关系。

The clathrate compounds with guest ions in networked cages show drastic differences in the thermal property, depending on the existence of off-centered guest ions especially. In this research, the relation between the glass-like feature of the clathrates with off-centered guest ions and the rattling phonon arising from the off-centered ones is revealed by investigating the calculated excitation spectra of the rattling phonon.