• 文献标题:   Quasiparticle energies and band gaps in graphene nanoribbons
  • 文献类型:   Article
  • 作  者:   YANG L, PARK CH, SON YW, COHEN ML, LOUIE SG
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW LETTERS
  • ISSN:   0031-9007 EI 1079-7114
  • 通讯作者地址:   Univ Calif Berkeley
  • 被引频次:   758
  • DOI:   10.1103/PhysRevLett.99.186801
  • 出版年:   2007

▎ 摘  要

We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green's function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5-3.0 eV for ribbons of width 2.4-0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.