Interface bond relaxation on the thermal conductivity of Si/Ge core-shell nanowires

The thermal conductivity of Si/Ge core-shell nanowires (CSNWs) is investigated on the basis of atomic-bond-relaxation consideration and continuum mechanics. An analytical model is developed to clarify the interface bond relaxation of Si/Ge CSNWs. It is found that the thermal conductivity of Si core can be modulated through covering with Ge epitaxial layers. The change of thermal conductivity in Si/Ge CSNWs should be attributed to the surface relaxation and interface mismatch between inner Si nanowire and outer Ge epitaxial layer. Our results are in well agreement with the experimental measurements and simulations, suggesting that the presented method provides a fundamental insight of the thermal conductivity of CSNWs from the atomistic origin.