https://doi.org/10.1140/epjb/e2004-00040-2
Vibrational properties of C20-based solids
Dipartimento di Scienza dei Materiali and
Istituto Nazionale per la Fisica della Materia,
Università degli Studi di Milano-Bicocca,
Via Cozzi 53, 20125 Milano, Italy
Corresponding author: a marco.bernasconi@unimib.it
Received:
29
September
2003
Published online:
15
March
2004
The phonon dispersion relations and IR spectrum of a C20-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 C20 clusters have been considered as well. In particular, we have computed the structure and the Raman spectra of two-dimensional polymeric phases of hydrogenated C20 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 C20-based solids.
PACS: 61.48.+c – Fullerenes and fullerene-related materials / 63.20.-e – Phonons in crystal lattices / 78.30.-j – Infrared and Raman spectra
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2004