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arXiv · 0706.1589

Quasiparticle Energies and Band Gaps of Graphene Nanoribbons

Li Yang·Cheol-Hwan Park·Young-Woo Son·Marvin L. Cohen·Steven G. Louie
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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-dimension 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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Li Yang, Cheol-Hwan Park, Young-Woo Son, Marvin L. Cohen, Steven G. Louie. 2007-06-11. Quasiparticle Energies and Band Gaps of Graphene Nanoribbons. https://arxiv.org/abs/0706.1589

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