TY - JOUR
T1 - Ab Initio GW many-body effects in graphene
AU - Trevisanutto, Paolo E.
AU - Giorgetti, Christine
AU - Reining, Lucia
AU - Ladisa, Massimo
AU - Olevano, Valerio
PY - 2008/11/26
Y1 - 2008/11/26
N2 - 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.
AB - 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.
U2 - 10.1103/PhysRevLett.101.226405
DO - 10.1103/PhysRevLett.101.226405
M3 - Article
AN - SCOPUS:57149102083
SN - 0031-9007
VL - 101
JO - Physical Review Letters
JF - Physical Review Letters
IS - 22
M1 - 226405
ER -