Quasiparticle Energies and Band Gaps in Graphene Nanoribbons

Li Yang, Cheol-Hwan Park, Young-Woo Son, Marvin L. Cohen, and Steven G. Louie
Phys. Rev. Lett. 99, 186801 – Published 1 November 2007

Abstract

We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5–3.0 eV for ribbons of width 2.4–0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.

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  • Received 8 June 2007

DOI:https://doi.org/10.1103/PhysRevLett.99.186801

©2007 American Physical Society

Authors & Affiliations

Li Yang1,2, Cheol-Hwan Park1,2, Young-Woo Son3, Marvin L. Cohen1,2, and Steven G. Louie1,2

  • 1Department of Physics, University of California at Berkeley, California 94720, USA
  • 2Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
  • 3Department of Physics, Konkuk University, Seoul 143-701, Korea

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Issue

Vol. 99, Iss. 18 — 2 November 2007

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