Vibrational properties of C<Subscript>20</Subscript>-based solids

The phonon dispersion relations and IR spectrum of a C<Subscript>20</Subscript>-based solid recently identified experimentally [Iqbal et al. , Eur. Phys. J. B <Emphasis Type="Bold">31, 509 (2003)] have been computed by density functional perturbation theory. Other competitive structures made by assembling C<Subscript>20</Subscript> 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<Subscript>20</Subscript> 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<Subscript>20</Subscript>-based solids. Copyright EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2004