Getting rid of acoustic phonons in heat transport

摘要

A simple model based on the behavior of a harmonic oscillator particle inside a clathrate cage that adjusts the vibration frequency of filler atoms as a function of the cage size for different type-I clathrate compounds prepared by different authors allows us to extract conclusions regarding charge transfer, relationships between "rattler" and containing cage and also, to predict, for a given network composition what atoms would be useful to scatter certain acoustic phonon frequencies.