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Charge transfer excitons in optical absorption spectra of C60-dimers and polymers

Kikuo Harigaya
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Abstract

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.

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Kikuo Harigaya. 1996-04-22. Charge transfer excitons in optical absorption spectra of C60-dimers and polymers. https://doi.org/10.1103/physrevb.54.12087

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