• 文献标题:   Strain dependence of the heat transport properties of graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   YEO PSE, LOH KP, GAN CK
  • 作者关键词:  
  • 出版物名称:   NANOTECHNOLOGY
  • ISSN:   0957-4484 EI 1361-6528
  • 通讯作者地址:   Agcy Sci Technol Res
  • 被引频次:   14
  • DOI:   10.1088/0957-4484/23/49/495702
  • 出版年:   2012

▎ 摘  要

Using a combination of accurate density-functional theory and a nonequilibrium Green's function method, we calculate the ballistic thermal conductance characteristics of tensile-strained armchair (AGNR) and zigzag (ZGNR) edge graphene nanoribbons, with widths between 3 and 50 angstrom. The optimized lateral lattice constants for AGNRs of different widths display a three-family behavior when the ribbons are grouped according to N modulo 3, where N represents the number of carbon atoms across the width of the ribbon. Two lowest-frequency out-of-plane acoustic modes play a decisive role in increasing the thermal conductance of AGNR-N at low temperatures. At high temperatures the effect of tensile strain is to reduce the thermal conductance of AGNR-N and ZGNR-N. These results could be explained by the changes in force constants in the in-plane and out-of-plane directions with the application of strain. This fundamental atomistic understanding of the heat transport in graphene nanoribbons paves a way to effect changes in their thermal properties via strain at various temperatures.