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

Abstract

Using Coulomb correlation parameters appropriate for $\pi$-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 $\pi$-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.