Ab initio GW many-body effects in graphene
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 single-particle excitations and to the plasmon. Finally, the GW self-energy does not open the band gap.
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