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Dynamics of Carbon Clusters: Buckminsterfullerene

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Cluster Models for Surface and Bulk Phenomena

Part of the book series: NATO ASI Series ((NSSB,volume 283))

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Abstract

We present a calculation of the vibrational spectrum of the C60 cluster by means of an adiabatic bond-charge model, and results are compared with recent experimental data (IR and Raman spectra). The model and the parameter set are directly derived from a recent calculation devoted to lattice dynamics of crystalline graphite. The calculation with the four graphite-derived parameters gives a global agreement with the experimental data which is better than the one achieved by means of force field models involving a greater number of parameters. A subsequent minimum-squares fit of the parameters to the experimental data, showed that the Raman spectrum can be very well reproduced in almost all its features.

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Authors and Affiliations

  1. Dipartimento di Fisica, Universita’ degli Studi di Milano, Via Celoria 16, I-20133, Milano, Italy

    G. Onida & G. Benedek

Authors
  1. G. Onida
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  2. G. Benedek
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Editor information

Editors and Affiliations

  1. Università di Milano, Milano, Italy

    Gianfranco Pacchioni

  2. IBM Research Division, Almaden Research Center, San Jose, California, USA

    Paul S. Bagus

  3. Centro Informazioni Studi Esperienze (CISE), Milano, Italy

    Fulvio Parmigiani

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© 1992 Plenum Press, New York

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Onida, G., Benedek, G. (1992). Dynamics of Carbon Clusters: Buckminsterfullerene. In: Pacchioni, G., Bagus, P.S., Parmigiani, F. (eds) Cluster Models for Surface and Bulk Phenomena. NATO ASI Series, vol 283. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-6021-6_9

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  • DOI: https://doi.org/10.1007/978-1-4684-6021-6_9

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4684-6023-0

  • Online ISBN: 978-1-4684-6021-6

  • eBook Packages: Springer Book Archive

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