FORCE-CONSTANT MODEL FOR THE VIBRATIONAL-MODES IN C-70

Citation
Ra. Jishi et al., FORCE-CONSTANT MODEL FOR THE VIBRATIONAL-MODES IN C-70, Physical review. B, Condensed matter, 48(8), 1993, pp. 5634-5642
Citations number
34
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
48
Issue
8
Year of publication
1993
Pages
5634 - 5642
Database
ISI
SICI code
0163-1829(1993)48:8<5634:FMFTVI>2.0.ZU;2-Z
Abstract
A force-constant model previously developed for C60 is extended to C70 . Using the force constants determined for the C60 molecule, the vibra tional frequencies for the C70 Molecule are calculated and are identif ied with the irreducible representations of the D5h symmetry group, ac cording to which the vibrational modes transform. A comparison of the predictions of this model with the experimentally reported values for the Raman- and infrared-active modes shows good agreement overall. The effect of doping by alkali-metal atoms is taken into account by modif ying the force constants in order to produce a good fit to the availab le data for doped C60. The model is then used to predict the frequenci es of the Raman- and infrared-active modes in alkali-metal-doped C70.