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

Wang, Zhendong; Zhao, Hongbo; Mazumdar, Sumit

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

Authors

Wang, Zhendong

Zhao, Hongbo

Mazumdar, Sumit

Description

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.
6 pages, 2 figures, 2 tables