• 文献标题:   First principle study of the thermal conductance in graphene nanoribbon with vacancy and substitutional silicon defects
  • 文献类型:   Article
  • 作  者:   JIANG JW, WANG BS, WANG JS
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951 EI 1077-3118
  • 通讯作者地址:   Natl Univ Singapore
  • 被引频次:   63
  • DOI:   10.1063/1.3567768
  • 出版年:   2011

▎ 摘  要

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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3567768]