Ab initio GW many-body effects in graphene

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dc.creatorTrevisanutto, P. E.
dc.creatorGiorgetti, C.
dc.creatorReining, L.
dc.creatorLadisa, M.
dc.creatorOlevano, V.
dc.date2008-06-20
dc.date2008-12-02
dc.date.accessioned2026-07-07T12:08:01Z
dc.date.available2026-07-07T12:08:01Z
dc.descriptionWe 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 $π\to π^*$ single-particle excitations and to the $π$ plasmon. Finally, the GW self-energy does not open the band gap.
dc.description5 pages, 4 figures, 1 table
dc.identifierhttps://arxiv.org/abs/0806.3365
dc.identifierhttp://arxiv.org/abs/0806.3365
dc.identifierPhys. Rev. Lett. 101, 226405 (2008)
dc.identifierdoi:10.1103/PhysRevLett.101.226405
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/209172
dc.subjectMaterials Science
dc.titleAb initio GW many-body effects in graphene
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