We present a calculation of the vibrational spectrum of the C60 cluster by means of an adiabatic bond-charge model, which is directly derived from a calculation reproducing the intralayer phonons in crystalline graphite. Despite the very restricted number of adjustable parameters (four), the fourteen experimental Raman and infrared-active frequencies are reproduced within 3.0% (mean-square relative deviation). Good agreement is found also for other optically inactive modes, recently detected by neutron scattering and reflection electron energy loss spectroscopy.
VIBRATIONAL-SPECTRUM OF C-60 - A BOND-CHARGE MODEL CALCULATION / G. ONIDA, G. BENEDEK. - In: EUROPHYSICS LETTERS. - ISSN 0295-5075. - 18:5(1992), pp. 403-408.
Titolo: | VIBRATIONAL-SPECTRUM OF C-60 - A BOND-CHARGE MODEL CALCULATION |
Autori: | ONIDA, GIOVANNI (Primo) |
Parole Chiave: | ATOMIC AND MOLECULAR CLUSTERS; CALCULATION OF MOLECULAR SPECTRA; PHONON-ELECTRON INTERACTIONS |
Settore Scientifico Disciplinare: | Settore FIS/03 - Fisica della Materia |
Data di pubblicazione: | 1992 |
Rivista: | |
Tipologia: | Article (author) |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1209/0295-5075/18/5/005 |
Appare nelle tipologie: | 01 - Articolo su periodico |