Volume 105, Number 5, March 2014
|Number of page(s)||4|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||17 March 2014|
Anomalous effect of hydrogenation on phonon thermal conductivity in thin silicon nanowires
1 Department of Physics, China University of Mining and Technology - Xuzhou 221116, PRC
2 Department of Physics and Materials Science, City University of Hong Kong - Hong Kong SAR, PRC
3 Beijing Computational Science Research Center - Beijing 100084, PRC
Received: 26 December 2013
Accepted: 25 February 2014
Using equilibrium molecular-dynamics simulations, we investigate the phonon thermal conductivity of hydrogenated silicon nanowires (H-SiNWs). In contrast to the usual thermal conductivity reduction observed upon surface passivation due to the enhancement of phonon-surface scattering in nanostructures, we observe increased thermal conductivity upon the surface hydrogenation of thin SiNWs as compared to pure SiNWs. We show that such an anomalous effect arises mainly from the hydrogenation-induced specific changes in the lattice structures and phonon modes of surface silicon atoms.
PACS: 68.65.-k – Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties / 44.10.+i – Heat conduction
© EPLA, 2014
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