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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 |
Appears in Collections: | Staff Publications |
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