Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevB.81.235427
Title: Phonon interference at self-assembled monolayer interfaces: Molecular dynamics simulations
Authors: Hu, L.
Zhang, L. 
Hu, M.
Wang, J.-S. 
Li, B. 
Keblinski, P.
Issue Date: 18-Jun-2010
Source: Hu, L., Zhang, L., Hu, M., Wang, J.-S., Li, B., Keblinski, P. (2010-06-18). Phonon interference at self-assembled monolayer interfaces: Molecular dynamics simulations. Physical Review B - Condensed Matter and Materials Physics 81 (23) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.81.235427
Abstract: Using molecular dynamics simulations, we expose phonon interference effects in thermal transports across a self-assembled monolayer (SAM) of alkanethiol molecules covalently bonded to (111) gold substrate and physically bonded to silicon. In particular, we show that the thermal conductance of SAM-Au interface depends on the bonding strength at the SAM-Si interface and that the phonon transmission coefficients show strong and oscillatory dependence on frequency, with oscillatory features diminishing with increasing SAM thickness. To explore the generality of this behavior we analyze a simple model of point junction on a one-dimensional chain using the scattering boundary method. © 2010 The American Physical Society.
Source Title: Physical Review B - Condensed Matter and Materials Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/97528
ISSN: 10980121
DOI: 10.1103/PhysRevB.81.235427
Appears in Collections:Staff Publications

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