• 文献标题:   Electronic structure of assembled graphene nanoribbons: Substrate and many-body effects
  • 文献类型:   Article
  • 作  者:   LIANG LB, MEUNIER V
  • 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:   Rensselaer Polytech Inst
  • 被引频次:   35
  • DOI:   10.1103/PhysRevB.86.195404
  • 出版年:   2012

▎ 摘  要

Experimentally measured electronic band gaps of atomically sharp straight and chevronlike armchair graphene nanoribbons (GNRs) adsorbed on a gold substrate are smaller than theoretically predicted quasiparticle band gaps of their free-standing counterparts [Linden et al., Phys. Rev. Lett. 108, 216801 (2012)]. The influence of the substrate on electronic properties of both straight and chevronlike GNRs is here investigated including many-body effects beyond semilocal density-functional theory. The predicted small electron transfer from a straight or chevronlike GNR to the gold surface is found to lead to a surface polarization at the GNR-metal interface responsible for a significant reduction of the quasiparticle band gap of the GNR. This reduction is quantified using a semiclassical image charge model. By considering both quasiparticle and surface polarization corrections, we obtain theoretical band gaps that are consistent with experimental ones for gold-supported GNRs.