Ab initio calculation of thermal boundary resistance at the interface of metals with GeTe, In 3 SbTe 2 and In 2 GeTe 3 phase change compounds

First principles calculations of phonon dispersion relations have been performed to estimate the phononic contribution to the thermal boundary resistance at the interfaces between GeTe, In3SbTe2 and In2GeTe3 phase change compounds and metals (Al, Pt and TiN). The diffuse mismatch model has been used. The electron–phonon coupling constants provide an estimate of the electron–phonon contribution to the thermal boundary resistance. The electron–phonon and phononic contributions to the thermal boundary resistance turn out to be comparable and they have to be both included for a reliable estimate of the thermal conductance at the interface with phase change compounds.