Effective One-Dimensional Electron-Hole Interaction in Single-Walled Carbon Nanotubes

ORAL

Abstract

Using the results of ab initio GW-Bethe-Salpeter-Equation (GW-BSE) calculations on the excitonic effects in single-walled carbon nanotubes (SWCNTs), we derive a 1D quantum model for the electron-hole interaction in both semiconducting and metallic SWCNTs. The model includes the important effects of spatial dependent screening and reproduces the exciton binding energies and envelope wave functions of the complete GW-BSE solution of the electron-hole excited states. The inclusion of the spatial dependence in the dielectric function is essential to capture the positioning of the higher exciton states in the spectrum whose calculated energies differ dramatically from those obtained using previous models based on constant dielectric screening. The present effective interaction can be used to calculate the binding energies of exciton states in a range of SWCNTs, which would be impractical by ab initio study.

*Support by NSF Grant No. DMR07-05941, US DOE Cont. No. DE-AC02-05CH1123 and DOE CSGF Fellowship DE-FG02-97ER25308. Computer resources from NERSC and NPACI.

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Authors

  • Jack Deslippe

    • UC Berkeley and LBNL

  • Mario Dipoppa

    • UC Berkeley and LBNL

  • David Prendergast

    • The Molecular Foundry, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley CA-94720
    • Molecular Foundary, Lawrence Berkeley National Laboratory
    • Lawrence Berkeley Laboratory
    • Molecular Foundry, LBNL and Physics Dept, UC Berkeley
    • Molecular Foundry, LBNL

  • Rodrigo Capaz

    • Universidade Federal do Rio de Janeiro

  • Steven G. Louie

    • Department of Physics, UC Berkeley
    • Department of Physics, University of California at Berkeley and Materials Sciences Division of Lawrence Berkeley National Laboratory
    • UC Berkeley, and LBL
    • UC Berkeley
    • Dept. of Physics, UC Berkeley; MSD, LBNL
    • Department of Physics, University of California at Berkeley and Materials Sciences Division, Lawrence Berkeley National Laboratory
    • Molecular Foundry, LBNL and Physics Dept, UC Berkeley
    • UC Berkeley and LBNL
    • University of California at Berkeley and Lawrence Berkeley National Laboratory