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Ab Initio GW many-body effects in graphene

  • Institut NÉEL
  • European Theoretical Spectroscopy Facility (ETSF)
  • Istituto di Cristallografia

Research output: Contribution to journal › Article › peer-review

250 Citations (Scopus)

Abstract

We present an ab initio numerical many-body GW calculation of the band plot in freestanding graphene. We consider the full ionic and electronic structure introducing e-e interaction and correlation effects via a self-energy containing non-Hermitian and dynamical terms. With respect to the density-functional theory local-density approximation, the Fermi velocity is renormalized with an increase of 17%, in better agreement with the experiment. Close to the Dirac point the linear dispersion is modified by the presence of a kink, as observed by angle-resolved photoemission spectroscopy. We demonstrate that the kink is due to low-energy π→π* single-particle excitations and to the π plasmon. The GW self-energy does not open the band gap.

Original languageEnglish
Article number226405
JournalPhysical Review Letters
Volume101
Issue number22
DOIs
Publication statusPublished - 26 Nov 2008

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