Band Gaps and Quasiparticle Energies of Graphene Nanoribbons

11:15 AM–2:15 PM, Wednesday, March 7, 2007
Colorado Convention Center Room: 302

Sponsoring Unit: DMP
Chair: Pablo Jarillo-Herrero, Columbia University

Abstract ID: BAPS.2007.MAR.P28.1

Abstract: P28.00001 : Band Gaps and Quasiparticle Energies of Graphene Nanoribbons*

11:15 AM–11:27 AM

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Authors:

Li Yang
(Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720)

Cheol Hwan Park
(Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720)

Young-Woo Son
(School of Computational Sciences, Korea Institute for Advanced Study, Seoul 130-722, Korea)

Marvin L. Cohen
(Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720)

Steven G. Louie
(Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720)

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. The self-energy of electrons is evaluated within the GW approximation. In our supercell calculation, due to the geometry of GNRs, a rectangular truncation of the Coulomb interaction is applied, which significantly improves the efficiency of the calculation. The quasiparticle results are compared and contrasted with results from previous studies that have been carried out either within the tight-binding or density functional formalism.

*Acknowledgement: This work is supported by NSF Grant No. DMR04-39768 and by the Director, Office of Science, Office of Basic Energy under contract No. DE-AC02-05CH11231. Computational resources have been provided by DATASTAR at SDSC.

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2007.MAR.P28.1

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Bulletin of the American Physical Society

2007 APS March Meeting

Volume 52, Number 1

Monday–Friday, March 5–9, 2007; Denver, Colorado

Session P28: Focus Session: Graphene III

Abstract: P28.00001 : Band Gaps and Quasiparticle Energies of Graphene Nanoribbons*

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