| Literature DB >> 17995426 |
Li Yang1, Cheol-Hwan Park, Young-Woo Son, Marvin L Cohen, Steven G Louie.
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.Entities:
Year: 2007 PMID: 17995426 DOI: 10.1103/PhysRevLett.99.186801
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161