Fig. 4: Thermal boundary conductance (TBC) of Si-Ge interfaces at 300 K.
From: Experimental observation of localized interfacial phonon modes
a Spectral TBC of the Si-Ge interface. b Cumulative TBC of the Si-Ge interface. c Comparison of the measured TBC with calculated TBC values. The error bar for the measured TBC is calculated by a Monte Carlo method, which considers all the possible error sources (see SI). The “MD-NNP-mix” and “MD-NNP” are TBC values of mixed and ideal Si-Ge interfaces by MD with NNP. “AGF” and “AGF_mix” are TBC values of an ideal Si-Ge interface and a Si-Ge interface with 6-atomic-layer mixing calculated by AGF11. “AGF_anhm” is the TBC of a perfect Si-Ge interface calculated by AGF, which includes both harmonic and anharmonic contributions13. “DMM” is the TBC calculated by the non-equilibrium Landauer approach, which considers the non-equilibrium effect at the interface and uses DMM to calculate transmission. The TBC of perfect Si-Ge interfaces calculated with other interatomic potentials such as Stillinger–Weber potential, Tersoff potential, and first-principles-calculated force constant potential are also included for comparison18,19,27,28.
