Atomistic Simulations of Heat Transport in Silicon Nanowires

Davide Donadio and Giulia Galli
Phys. Rev. Lett. 102, 195901 – Published 13 May 2009

Abstract

We present a series of molecular dynamics, lattice dynamics, and Boltzmann transport equation calculations aimed at understanding heat transport in Silicon nanowires. In agreement with recent experiments, we find that the computed thermal conductivity strongly depends on the surface structure. It may be as high as that of bulk Si for crystalline wires, while wires with amorphous surfaces have the smallest thermal conductivity, about 100 times lower than the bulk. Two, combined effects are responsible for this dramatic difference: the presence, at disordered surfaces, of extended, nonpropagating modes analogous to heat carriers in amorphous Si, together with decreased lifetimes of propagating modes.

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  • Received 22 October 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.195901

©2009 American Physical Society

Authors & Affiliations

Davide Donadio and Giulia Galli

  • Department of Chemistry, University of California at Davis, One Shields Avenue, Davis, California 95616, USA

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Issue

Vol. 102, Iss. 19 — 15 May 2009

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