We present a study of the Raman and ir spectra of the sp2-bonded carbon clusters C60 and C70, performed in the framework of a three-parameter bond-charge model based on a transferable inter-atomic potential. A consistent calculation of the relative amplitudes and of the static polarizability has been performed with only one additional parameter besides those entering the dynamics. The calculated spectra are compared with the existing experimental data for C60 and C70. Very good agreement is found for the Raman spectrum of both clusters, whereas the agreement for ir spectra is less satisfactory.
Sanguinetti, S., Benedek, G., Righetti, M. (1994). Dynamical Properties and Related Optical-spectra of Fullerenes - the Bond-charge-model Description. PHYSICAL REVIEW. B, CONDENSED MATTER, 50(10), 6743-6750 [10.1103/PhysRevB.50.6743].
Dynamical Properties and Related Optical-spectra of Fullerenes - the Bond-charge-model Description
SANGUINETTI, STEFANO;BENEDEK, GIORGIO;
1994
Abstract
We present a study of the Raman and ir spectra of the sp2-bonded carbon clusters C60 and C70, performed in the framework of a three-parameter bond-charge model based on a transferable inter-atomic potential. A consistent calculation of the relative amplitudes and of the static polarizability has been performed with only one additional parameter besides those entering the dynamics. The calculated spectra are compared with the existing experimental data for C60 and C70. Very good agreement is found for the Raman spectrum of both clusters, whereas the agreement for ir spectra is less satisfactory.
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