1996/04/22 by Kikuo Harigaya
Chemistry · Materials Science · Physics and Astronomy · #Carbon Nanotubes in Composites #Fullerene Chemistry and Applications #Graphene research and applications #chem-ph #cond-mat #mtrl-th
paper · pdf · doi:10.1103/physrevb.54.12087
published as Phys. Rev. B 54 (1996) 12087-12092 · Figures should be requested to the author
arxiv created 1996/04/22 · openalex publication_date 1996/11/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Charge-transfer (CT) exciton effects are investigated for the optical-absorption spectra of crosslinked C60 systems by using the intermediate exciton theory. We consider the C60 dimers, and the two (and three) molecule systems of the C60 polymers. We use a tight-binding model with long-range Coulomb interactions among electrons, and the model is treated by the Hartree-Fock approximation followed by the single-excitation configuration interaction method. We discuss the variations in the optical spectra by changing the conjugation parameter between molecules. We find that the total CT component increases in smaller conjugations, and saturates at the intermediate conjugations. It decreases in the large conjugations. We also find that the CT components of the doped systems are smaller than those of the neutral systems, indicating that the electron-hole distance becomes shorter in the doped C60 polymers. \textcopyright 1996 The American Physical Society.