4.6 Article

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

Journal

PHYSICAL REVIEW B
Volume 74, Issue 19, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.74.195406

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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.

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