We used nonequilibrium molecular dynamics to investigate the role of morphology in the phonon thermal conductivity of 〈100〉, 〈110〉, 〈111〉 and 〈112〉-oriented Si/Ge superlattice nanowires at 300 K. Such nanowires with 〈112〉 growth direction were found to possess the lowest values of the thermal conductivity [1.6 W/(m·K) for a Si and Ge segment thickness of ∼3 nm] due to the lowest average group velocity and highly effective {113} facets and Si/Ge(112) interface for phonon-surface and phonon-interface scattering, respectively. Comparison with homogeneous and core/shell Si and Ge nanowires showed that the superlattice morphology is the most efficient to suppress the thermal conductivity.
We study the effect of morphology on the in- and cross-plane phonon thermal conductivity of the (001), (110), and (111) oriented Si/Ge multilayer films by means of non-equilibrium molecular dynamics at 300 K. The extended comparison of the estimated values for the multilayer films to one for the appropriate homogeneous Si and Ge films has been performed. The results revealed a significant advantage in reducing the thermal conductivity of the Si/Ge multilayer films compared to the referenced homogeneous Ge and Si films for the cross-plane transport regardless of the film orientation, and for the in-plane transport only for (001)/
1
¯
10
,
(110)/[001] directions with an increase in the number of periods, which indicated the prospects of such layered structures.
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