Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.3567768
Title: First principle study of the thermal conductance in graphene nanoribbon with vacancy and substitutional silicon defects
Authors: Jiang, J.-W. 
Wang, B.-S.
Wang, J.-S. 
Issue Date: 14-Mar-2011
Citation: Jiang, J.-W., Wang, B.-S., Wang, J.-S. (2011-03-14). First principle study of the thermal conductance in graphene nanoribbon with vacancy and substitutional silicon defects. Applied Physics Letters 98 (11) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3567768
Abstract: The thermal conductance in graphene nanoribbon with a vacancy or silicon point defect is investigated by nonequilibrium Green's function (NEGF) formalism combined with first-principles calculations of density-functional theory with local density approximation. The thermal conductance is very sensitive to the position of the vacancy defect, while insensitive to the position of silicon defect. A vacancy defect situated at the center of the nanoribbon generates a saddlelike surface, which greatly reduces the thermal conductance by strong scattering to all phonon modes; while an edge vacancy defect only results in a further reconstruction of the edge and slightly reduces the thermal conductance. © 2011 American Institute of Physics.
Source Title: Applied Physics Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/96641
ISSN: 00036951
DOI: 10.1063/1.3567768
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