Ab Initio GW Many-Body Effects in Graphene

Paolo E. Trevisanutto, Christine Giorgetti, Lucia Reining, Massimo Ladisa, and Valerio Olevano
Phys. Rev. Lett. 101, 226405 – Published 26 November 2008
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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 ee 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 ππ* single-particle excitations and to the π plasmon. The GW self-energy does not open the band gap.

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  • Received 28 March 2008

DOI:https://doi.org/10.1103/PhysRevLett.101.226405

©2008 American Physical Society

Authors & Affiliations

Paolo E. Trevisanutto1,2, Christine Giorgetti3,2, Lucia Reining3,2, Massimo Ladisa4, and Valerio Olevano1,2

  • 1Institut Néel, CNRS and UJF, Grenoble, France
  • 2European Theoretical Spectroscopy Facility (ETSF), Paris, France
  • 3Laboratoire des Solides Irradiés, CNRS-CEA, École Polytechnique, Palaiseau, France
  • 4Istituto di Cristallografia, CNR, Bari, Italy

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Issue

Vol. 101, Iss. 22 — 28 November 2008

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