• 文献标题:   Ab initio high-energy excitonic effects in graphite and graphene
  • 文献类型:   Article
  • 作  者:   TREVISANUTTO PE, HOLZMANN M, COTE M, OLEVANO V
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   1098-0121
  • 通讯作者地址:   CNRS
  • 被引频次:   64
  • DOI:   10.1103/PhysRevB.81.121405
  • 出版年:   2010

▎ 摘  要

We present ab initio many-body calculations of the optical absorption in bulk graphite, graphene and bilayer of graphene. Electron-hole interaction is included solving the Bethe-Salpeter equation on top of a GW quasiparticle electronic structure. For all three systems, we observe strong excitonic effects at high energy, well beyond the continuum of pi ->pi(*) transitions. In graphite, these affect the onset of sigma ->sigma(*) transitions. In graphene, we predict an excitonic resonance at 8.3 eV arising from a background continuum of dipole forbidden transitions. In the graphene bilayer, the resonance is shifted to 9.6 eV. Our results for graphite are in good agreement with experiments.