Vibrational properties of C 20 -based solids

I. Spagnolatti, A. Mussi, M. Bernasconi () and G. Benedek

The European Physical Journal B: Condensed Matter and Complex Systems, 2004, vol. 37, issue 2, 143-148

Abstract: The phonon dispersion relations and IR spectrum of a C 20 -based solid recently identified experimentally [Iqbal et al. , Eur. Phys. J. B 31, 509 (2003)] have been computed by density functional perturbation theory. Other competitive structures made by assembling C 20 clusters have been considered as well. In particular, we have computed the structure and the Raman spectra of two-dimensional polymeric phases of hydrogenated C 20 clusters which might be formed under different synthesis conditions. Fingerprints of the different phases have been identified in the vibrational spectra which could be used in the experimental search of C 20 -based solids. Copyright EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2004

Date: 2004
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DOI: 10.1140/epjb/e2004-00040-2

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