ELECTRON-VIBRON INTERACTIONS IN CHARGED FULLERENES .2. PAIR ENERGIES AND SPECTRA

Citation
N. Manini et al., ELECTRON-VIBRON INTERACTIONS IN CHARGED FULLERENES .2. PAIR ENERGIES AND SPECTRA, Physical review. B, Condensed matter, 49(18), 1994, pp. 13008-13016
Citations number
48
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
49
Issue
18
Year of publication
1994
Pages
13008 - 13016
Database
ISI
SICI code
0163-1829(1994)49:18<13008:EIICF.>2.0.ZU;2-B
Abstract
The ground-state energy shifts and excitation spectra of charged fulle renes C-60(n-), n = 1,...,5 are calculated. The electron-vibron Hamilt onian of part I is extended to include all A(g) and H(g) modes with ex perimentally determined frequencies and theoretically estimated coupli ng constants. Complex splitting patterns of H(g) vibrational levels ar e found. Our results are relevant to EPR measurements of spin splittin gs in C-60(2-) and C-60(3-) in solution. Spectroscopic gas-phase exper iments will be of interest for further testing of this theory. As foun d in part I, degeneracies in the electron and vibron Hamiltonians give rise to a dynamical Jahn-Teller effect, and to a considerable enhance ment of the electronic pairing interaction. This helps to overcome rep ulsive Coulomb interactions and has important implications for superco nductivity in K3C60 and the insulating state in K4C60.