Enhanced thermal conductance at gold-amorphous silicon interfaces

Julien El Hajj, Gilles Ledoux, Samy Merabia

Published 2024-01-18Version 1

Heat transfer at the interface between two materials is becoming increasingly important as the size of electronic devices shrinks. Most studies concentrate on the interfacial thermal conductance between either crystalline-crystalline or amorphous-amorphous materials. Here, we investigate the interfacial thermal conductance at crystalline-amorphous interfaces using non-equilibrium molecular dynamics simulations. Specifically, gold and two different materials, silicon and silica, in both their crystalline and amorphous structures, have been considered. The findings reveal that the interfacial thermal conductance between amorphous structures and gold is found to be $300 \%$ higher as compared to crystalline structures for both planar and rough interfaces ($\approx$ 152 MW/m$^2$K for gold-amorphous silicon and $\approx$ 56 MW/m$^2$K for gold-crystalline silicon). This threefold increase could not be captured by the diffuse mismatch model, neither be explained by phonon localization at the interface. We relate the increase of interfacial heat transfer to the enhancement of the interface bonding and the atomic displacements cross-correlations of low frequency phonons at the crystalline-amorphous interfaces. This study calls for the systematic experimental determination of the interfacial thermal conductance between amorphous materials and metals.