• 文献标题:   Strain effect on quantum conductance of graphene nanoribbons from maximally localized Wannier functions
  • 文献类型:   Article
  • 作  者:   RASULI R, RAFIITABAR H, ZAD AI
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Sharif Univ Technol
  • 被引频次:   29
  • DOI:   10.1103/PhysRevB.81.125409
  • 出版年:   2010

▎ 摘  要

Density-functional study of strain effects on the electronic band structure and transport properties of the graphene nanoribbons (GNR) is presented. We apply a uniaxial strain (epsilon) in the x (nearest-neighbor) and y (second-nearest-neighbor) directions, related to the deformation of zigzag-and armchair-edge GNRs (AGNR and ZGNR), respectively. We calculate the quantum conductance and band structures of the GNR using the Wannier function in a strain range from -8% to + 8% (minus and plus signs show compression and tensile strain). As strain increases, depending on the AGNR family type, the electrical conductivity changes from an insulator to a conductor. This is accompanied by a variation in the electron and hole effective masses. The compression epsilon(x) in ZGNR shifts some bands to below the Fermi level (E-f) and the quantum conductance does not change but the tensile epsilon(x) causes an increase in the quantum conductance to 10e(2)/h near the E-f. For transverse direction, it is very sensitive to strain and the tensile epsilon(y) causes an increase in the conductance while the compressive epsilon(y) decreases the conductance at first but increases it later.