Akhiezer Mechanism Dominates Relaxation of Propagons in Amorphous at Room Temperature

TL;DR

This study demonstrates that the Akhiezer mechanism is the primary relaxation process for propagons in amorphous materials at room temperature, with implications for thermal conductivity tuning.

Contribution

It quantitatively evaluates the relaxation mechanism of propagons using the Akhiezer model, supported by lattice and molecular dynamics analyses, across different amorphous materials.

Findings

Akhiezer model accurately reproduces experimental relaxation times.

Sound speed of propagons is about 80% of Debye speed.

Propagons contribute up to 70% to thermal conductivity in some amorphous materials.

Abstract

Propagons play an important role in tuning the thermal conductivity of nanostructured amorphous materials. Although advances have been made to quantitatively evaluate the relaxation time of propagons with molecular dynamics, the underlying relaxation mechanism remains unexplored. Here, we investigate the relaxation process of propagons in amorphous silicon, amorphous silica, and amorphous silicon nitride at room temperature in terms of Akhiezer model, the parameters of which were evaluated by performing lattice dynamics and molecular dynamics analysis. The results show that the Akhiezer model can well reproduce experimental results obtained by various kinds of measurement methods, indicating that Akhiezer mechanism dominates the relaxation process of propagons at room temperature. Moreover, we show that the appropriate sound speed of propagons is around 80% of the Debye sound speed and comparable to that of the sound speed of the transversal modes. We also reveal that the contribution of diffusons to the total thermal conductivity of these amorphous is similar, which is around 1 W/m K, while the contribution of propagons varies significantly depending on the materials, which is 30% in amorphous silicon and silica but can be as high as 70% in amorphous silicon nitride.