Nano-Cross-Junction Effect on Phonon Transport in Silicon-Nanowire-Cages

Abstract

Wave effects of phonons can give rise to controllability of heat conduction beyond that by particle scattering at surfaces and interfaces. In this work, we propose a new class of 3D nanostructure: a silicon-nanowire-cage (SiNWC) structure consisting of silicon nanowires (SiNWs) connected by nano-cross-junctions (NCJs). We perform equilibrium molecular dynamics (MD) simulations, and find an ultralow value of thermal conductivity of SiNWC, 0.173 Wm-1K-1, which is one order lower than that of SiNWs. By further modal analysis and atomistic Green's function calculations, we identify that the large reduction is due to significant phonon localization induced by the phonon local resonance and hybridization at the junction part in a wide range of phonon modes. This localization effect does not require the cage to be periodic, unlike the phononic crystals, and can be realized in structures that are easier to synthesize, for instance in a form of randomly oriented SiNWs network.

Nano-cross-junction, silicon-nanowires-cage, thermal conductivity, local phonon resonance, random network of silicon nanowires

References in corpus (3)

• Quantum thermal transport in nanostructures
• Impact of Phonon Surface Roughness Scattering on Thermal Conductivity of Thin Si Nanowires
• Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study

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