• 文献标题:   Unusual Enhancement in Intrinsic Thermal Conductivity of Multi layer Graphene by Tensile Strains
  • 文献类型:   Article
  • 作  者:   KUANG YD, LINDSAY L, HUANG BL
  • 作者关键词:   tensile strain, density functional tight binding, thermal conductivity, multilayer graphene, phonon thermal transport
  • 出版物名称:   NANO LETTERS
  • ISSN:   1530-6984 EI 1530-6992
  • 通讯作者地址:   Shanghai Second Polytech Univ
  • 被引频次:   41
  • DOI:   10.1021/acs.nanolett.5b02403
  • 出版年:   2015

▎ 摘  要

Using the Boltzmann-Peierls equation for phonon transport approach with the inputs of interatomic force constants from the self-consistent charge density functional tight binding method, we calculate the room-temperature in-plane lattice thermal conductivities k of multilayer graphene (up to four layers) and graphite under different isotropic tensile strains. The calculated in-plane k of graphite, finite monolayer graphene and 3-layer graphene agree well with previous experiments. For unstrained graphene systems, both the intrinsic k and the extent of the diffusive transport regime present a drastic dimensional transition in going from monolayer to 2-layer graphene and thereafter a gradual transition to the graphite limit. We find a peak enhancement of intrinsic k for multilayer graphene and graphite with increasing strain with the largest enhancement amplitude similar to 40%. Competition between the decreased mode heat capacities and the increased lifetimes of flexural phonons with increasing strain contribute to this k behavior. Similar k behavior is observed for 2-layer hexagonal boron nitride systems. This study provides insights into engineering k of multilayer graphene and boron nitride by strain and into the nature of thermal transport in quasi-two-dimensional and highly anisotropic systems.