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 language | English |
|---|---|
| Article number | 226405 |
| Journal | Physical Review Letters |
| Volume | 101 |
| Issue number | 22 |
| DOIs | |
| Publication status | Published - 26 Nov 2008 |
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