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

Zhendong Wang·Hongbo Zhao·Sumit Mazumdar
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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.

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Zhendong Wang, Hongbo Zhao, Sumit Mazumdar. 2006-06-02. Quantitative calculations of the excitonic energy spectra of semiconducting single-walled carbon nanotubes within a $π$-electron model. https://doi.org/10.1103/physrevb.74.195406

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