Eur. Phys. J. B 37, 143-148 (2004)
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

Abstract

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.