Quantitative calculations of the excitonic energy spectra of semiconducting single-walled carbon nanotubes within a π -electron model

Zhendong Wang, Hongbo Zhao, Sumitendra Mazumdar

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44 Citations (Scopus)

Abstract

Using Coulomb correlation parameters appropriate for π -conjugated polymers (PCPs), and a nearest neighbor hopping integral that is arrived at by fitting the energy spectra of three zigzag semiconducting single-walled carbon nanotubes (S-SWCNTs), we are able to determine quantitatively the exciton energies and exciton binding energies of 29 S-SWCNTs within a semiempirical π -electron Hamiltonian that has been widely used for PCPs. Our work establishes the existence of a deep and fundamental relationship between PCPs and S-SWCNTs.

Original languageEnglish (US)
Article number195406
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume74
Issue number19
DOIs
StatePublished - 2006

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Single-walled carbon nanotubes (SWCN)
energy spectra
carbon nanotubes
Excitons
Electrons
excitons
Hamiltonians
electrons
Conjugated polymers
Binding energy
binding energy
polymers
LDS 751
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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AB - Using Coulomb correlation parameters appropriate for π -conjugated polymers (PCPs), and a nearest neighbor hopping integral that is arrived at by fitting the energy spectra of three zigzag semiconducting single-walled carbon nanotubes (S-SWCNTs), we are able to determine quantitatively the exciton energies and exciton binding energies of 29 S-SWCNTs within a semiempirical π -electron Hamiltonian that has been widely used for PCPs. Our work establishes the existence of a deep and fundamental relationship between PCPs and S-SWCNTs.

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