Optical absorption spectra and electronic states in C70 and higher fullerenes

Kikuo Harigaya; Shuji Abe

doi:10.1117/12.262989

16 December 1996 Optical absorption spectra and electronic states in C₇₀ and higher fullerenes

Kikuo Harigaya, Shuji Abe

Proceedings Volume 2854, Fullerenes and Photonics III; (1996) https://doi.org/10.1117/12.262989
Event: SPIE's 1996 International Symposium on Optical Science, Engineering, and Instrumentation, 1996, Denver, CO, United States

Abstract

The optical excitations in C₇₀ and higher fullerenes, including isomers of C₇₆, C₇₈, and C₈₄, are theoretically investigated. We use a tight binding model with long-range Coulomb interactions, treated by the Hartree-Fock and configuration-interaction methods. We find that the optical excitation sin the energy region smaller than about 4eV have most of their amplitudes at the pentagons. The oscillator strengths of projected absorption almost accord with those of the total absorption. When the projection is performed on each pentagon and pentagon dimers, the resultant spectrum in the low energy region is quite different form that of the total absorption. The spectral shapes of the total absorption turned out to be determined mainly by the geometrical distributions of the pentagons in the fullerene structures.

Citation Download Citation

Kikuo Harigaya and Shuji Abe "Optical absorption spectra and electronic states in C₇₀ and higher fullerenes", Proc. SPIE 2854, Fullerenes and Photonics III, (16 December 1996); https://doi.org/10.1117/12.262989

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