Thermal resistance from non-equilibrium phonons at Si-Ge interface

Abstract

As nanostructured devices become prevalent, interfaces often play an important role in thermal transport phenomena. However, interfacial thermal transport remains poorly understood due to complex physics across a wide range of length scales from atomistic to microscale. Past studies on interfacial thermal resistance have focused on interface-phonon scattering at the atomistic scale but overlooked the complex interplay of phonon-interface and phonon-phonon scattering at microscale. Here, we use the Peierls-Boltzmann transport equation to show that the resistance from the phonon-phonon scattering of non-equilibrium phonons near a Si-Ge interface is much larger than that directly caused by the interface scattering. We report that non-equilibrium in phonon distribution leads to significant entropy generation and thermal resistance upon three-phonon scattering by the Boltzmann's H-theorem. The physical origin of non-equilibrium phonons in Ge is explained with the mismatch of phonon dispersion, density-of-states, and group velocity, which serve as general guidance for estimating the non-equilibrium effect on interfacial thermal resistance. Our study bridges a gap between atomistic scale and less studied microscale phenomena, providing comprehensive understanding of overall interfacial thermal transport and the significant role of phonon-phonon scattering.

arXiv commentRevised manuscript

References in corpus (9)

• Energy Dissipation and Transport in Nanoscale Devices
• Quantum thermal transport in nanostructures
• An alternative approach to efficient simulation of micro/nanoscale phonon transport
• Experimental Observation of Localized Interfacial Phonon Modes
• Spectral analysis of non-equilibrium molecular dynamics: spectral phonon temperature and phonon local non-equilibrium in thin films and across interfaces
• Thermal conductance at the interface between crystals using equilibrium and non-equilibrium molecular dynamics
• Anharmonicity strongly enhancing thermal interface conductance: A new anharmonic atomistic Green's function formalism
• Anharmonic phonon-phonon scattering at interface by non-equilibrium Green's function formalism
• Thermal resistance by transition between collective and non-collective phonon flows in graphitic materials