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Open Access Nano Express

Effects of quantum statistics of phonons on the thermal conductivity of silicon and germanium nanoribbons

Yuriy A Kosevich12*, Alexander V Savin1 and Andrés Cantarero2

Author Affiliations

1 Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, 119991, Russia

2 Materials Science Institute, University of Valencia, PO Box 22085, Valencia, 46071, Spain

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Nanoscale Research Letters 2013, 8:7  doi:10.1186/1556-276X-8-7

Published: 3 January 2013

Abstract

We present molecular dynamics simulation of phonon thermal conductivity of semiconductor nanoribbons with an account for phonon quantum statistics. In our semiquantum molecular dynamics simulation, dynamics of the system is described with the use of classical Newtonian equations of motion where the effect of phonon quantum statistics is introduced through random Langevin-like forces with a specific power spectral density (color noise). The color noise describes interaction of the molecular system with the thermostat. The thermal transport of silicon and germanium nanoribbons with atomically smooth (perfect) and rough (porous) edges are studied. We show that the existence of rough (porous) edges and the quantum statistics of phonon change drastically the low-temperature thermal conductivity of the nanoribbon in comparison with that of the perfect nanoribbon with atomically smooth edges and classical phonon dynamics and statistics. The rough-edge phonon scattering and weak anharmonicity of the considered lattice produce a weakly pronounced maximum of thermal conductivity of the nanoribbon at low temperature.

Keywords:
Thermal conductivity; Molecular dynamics simulation; Nanoribbon; Silicon; Germanium; Isotopic effect