GW-Bethe-Salpeter study of the optical properties of graphane

ORAL

Abstract

Recently, hydrogenated graphene (i.e., graphane) has been synthesized experimentally. Interesting properties such as reversible hydrogenation and transforming from a metal into an insulator have been observed. According to a recent study [Lebegue et. al., Phys. Rev. B 79, 245117 (2009)], the band gap of graphene is open up from 0 to $\sim $5 eV through the hydrogenation of graphene to graphane. In this talk, we will present results of a first-principles study of the optical properties of graphane using the GW-Bethe-Salpeter equation approach.

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Authors

  • Hoonkyung Lee

    Department of Physics, University of California, Berkeley. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California

  • Marvin L. Cohen

    UC Berkeley and Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California, UC Berkeley, Department of Physics, University of California, Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley; Material Science Division, Lawrence Berkeley National Laboratory, Deptartment of Physics, University of California, Berkeley; Materials Science Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720

  • Steven G. Louie

    UC Berkeley and Lawrence Berkeley National Laboratory, Department of Physics, University of California, Berkeley. Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California, University of California at Berkeley and Lawrence Berkeley National Lab, University of California at Berkeley and Lawrence Berkeley National Laboratory, University of California, Berkeley and Lawrence Berkeley National Laboratory, UC Berkeley, Department of Physics, University of California, Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, UC Berkeley and Lawrence Berkeley National Lab, UC Berkeley and LBNL, Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory, Dept. of Physics, University of California Berkeley and The Molecular Foundry, LBNL, Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720