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Phys Rev Lett. 2008 Nov 28;101(22):226405. Epub 2008 Nov 26.

Ab initio GW many-body effects in graphene.

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  • 1Institut NĂ©el, CNRS and UJF, Grenoble, France.


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 pi-->pi* single-particle excitations and to the pi plasmon. The GW self-energy does not open the band gap.

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