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Proceedings Paper

Photoexcited states in fullerene crystals: theory
Author(s): Shuji Abe
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Paper Abstract

The linear absorption and electroabsorption spectra of C60 crystals are discussed theoretically. Excited states of a model cluster consisting of a few C60 molecules are calculated within the extended Pariser-Parr-Pople model and the single-excitation configuration-interaction method. Electroabsorption spectra are numerically calculated by use of the standard formula for the third-order nonlinear optical susceptibility. We assume moderately strong electron-electron interactions and weak interchain transfer energies. The mixing of intermolecular charge transfer components with intramolecular Frenkel exciton states gives rise to weak humps in the tail parts of the main absorption peak. In the electroabsorption spectrum, the charge transfer states have larger contributions than intramolecular excitons. The results are qualitatively in good agreement with experiments.

Paper Details

Date Published: 16 December 1996
PDF: 6 pages
Proc. SPIE 2854, Fullerenes and Photonics III, (16 December 1996); doi: 10.1117/12.262986
Show Author Affiliations
Shuji Abe, Electrotechnical Lab. (Japan)

Published in SPIE Proceedings Vol. 2854:
Fullerenes and Photonics III
Zakya H. Kafafi, Editor(s)

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