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.

Spagnolatti, I., Mussi, A., Bernasconi, M., & Benedek, G. (2004). Vibrational properties of C20-based solids. THE EUROPEAN PHYSICAL JOURNAL. B, CONDENSED MATTER PHYSICS, 37(2), 143-148 [10.1140/epjb/e2004-00040-2].

Vibrational properties of C20-based solids

BERNASCONI, MARCO;BENEDEK, GIORGIO
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.
Articolo in rivista - Articolo scientifico
fullerenes; AB-initio calculations; phonons
English
143
148
Spagnolatti, I., Mussi, A., Bernasconi, M., & Benedek, G. (2004). Vibrational properties of C20-based solids. THE EUROPEAN PHYSICAL JOURNAL. B, CONDENSED MATTER PHYSICS, 37(2), 143-148 [10.1140/epjb/e2004-00040-2].
Spagnolatti, I; Mussi, A; Bernasconi, M; Benedek, G
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10281/12331
Citazioni
  • Scopus 3
  • ???jsp.display-item.citation.isi??? 3
Social impact