English

Ab initio GW many-body effects in graphene

Materials Science 2008-12-02 v2

Abstract

We present an {\it ab initio} many-body GW calculation of the self-energy, the quasiparticle band plot and the spectral functions in free-standing undoped graphene. With respect to other approaches, we numerically take into account the full ionic and electronic structure of real graphene and we introduce electron-electron interaction and correlation effects from first principles. Both non-hermitian and also dynamical components of the self-energy are fully taken into account. With respect to DFT-LDA, the Fermi velocity is substantially renormalized and raised by a 17%, in better agreement with magnetotransport experiments. Furthermore, close to the Dirac point the linear dispersion is modified by the presence of a kink, as observed in ARPES experiments. Our calculations show that the kink is due to low-energy ππ\pi \to \pi^* single-particle excitations and to the π\pi plasmon. Finally, the GW self-energy does not open the band gap.

Keywords

Cite

@article{arxiv.0806.3365,
  title  = {Ab initio GW many-body effects in graphene},
  author = {P. E. Trevisanutto and C. Giorgetti and L. Reining and M. Ladisa and V. Olevano},
  journal= {arXiv preprint arXiv:0806.3365},
  year   = {2008}
}

Comments

5 pages, 4 figures, 1 table

R2 v1 2026-06-21T10:52:48.164Z