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Article Dans Une Revue Physical Review Letters Année : 2008

Ab initio GW many-body effects in graphene

Résumé

We present an $ab\ initio$ 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 $\pi \to \pi^*$ single-particle excitations and to the $\pi$ plasmon. Finally, the GW self-energy does not open the band gap.
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Dates et versions

hal-00347261 , version 1 (11-01-2022)

Identifiants

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Paolo E. Trevisanutto, C. Giorgetti, Lucia Reining, M. Ladisa, Valerio Olevano. Ab initio GW many-body effects in graphene. Physical Review Letters, 2008, 101 (22), pp.226405. ⟨10.1103/PhysRevLett.101.226405⟩. ⟨hal-00347261⟩
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