Edge effects on quantum thermal transport in graphene nanoribbons: Tight-binding calculations

Jinghua Lan, Jian-Sheng Wang, Chee Kwan Gan, and Sai Kong Chin
Phys. Rev. B 79, 115401 – Published 3 March 2009

Abstract

We investigate the quantum thermal transport properties of graphene nanoribbons (GNRs) with natural edges by combining the Naval Research Laboratory tight-binding approach and the phonon nonequilibrium Green’s function method. Thermal transport of GNRs shows substantial dependence on the width due to edge reconstructions. For GNRs with n12, where n is the number of atoms along the direction perpendicular to the ribbon axis, the effect of natural edges is negligible and quantized thermal transport is observed. For GNRs with 2<n<12, natural edges destroy quantized thermal transport and reduce thermal conductance significantly. For the narrowest GNR with n=2, perfect quantized thermal transport is restored and a zero-transmission phonon band gap appears at ω=785808cm1. By sandwiching the narrowest GNR between two wide GNRs, the band gap is broadened by about ten times. The thermal conductivity of graphene evaluated from our results agrees very well with the recent experimental measurements.

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  • Received 31 October 2008

DOI:https://doi.org/10.1103/PhysRevB.79.115401

©2009 American Physical Society

Authors & Affiliations

Jinghua Lan1,*, Jian-Sheng Wang1,2, Chee Kwan Gan1, and Sai Kong Chin1

  • 1Institute of High Performance Computing, 1 Fusionopolis Way, #16-16 Connexis, Singapore 138632, Republic of Singapore
  • 2Department of Physics and Center for Computational Science and Engineering, National University of Singapore, Singapore 117542, Republic of Singapore

  • *lanjh@ihpc.a-star.edu.sg

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Issue

Vol. 79, Iss. 11 — 15 March 2009

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