Study of phonon transport across several Si/Ge interfaces using full-band phonon Monte Carlo simulation.

A Full Band Monte Carlo simulator has been developed to consider phonon transmission across interfaces that are perpendicular to the heat flux. This solver of the Boltzmann transport equation which does not require any assumption on the shape the phonon distribution can naturally consider all phonon transport regimes from the diffusive to the fully ballistic regime. Hence, this simulator is used to study single and double Si/Ge heterostructures from the micrometer scale down to the nanometer scale i.e. in all phonon transport regime from ballistic to fully diffusive. A methodology to estimate the thermal conductivities and the thermal interfaces is presented.