Published February 1, 1994 | Version v1
Journal article

Low-energy excitations of neutral C60

Creators

  • 1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

Description

Low-energy excited states of a neutral C60 molecule are studied in detail. The system is described by a Su-Schrieffer-Heeger Hubbard-type Hamiltonian which is solved perturbatively in the electron-electron interactions. The optical-absorption spectrum is computed including both the direct and one-phonon-induced processes. Electronic-correlation effects are qualitatively important and, if and only if the electron-electron interaction is taken to be large enough, good agreement with experiments is achieved. Furthermore, it is shown that, in this model, the lowest-energy spin-triplet state is stable against decay due to a large Coulomb binding. Also, the theory predicts a triplet-triplet band about at 0.45 eV which, to my knowledge, has not yet been observed experimentally

Additional details

Publishing Information

Journal Title
Physical Review. B, Condensed Matter
Journal Volume
49
Journal Issue
6
Journal Page Range
p. 4407-4410.
ISSN
0163-1829
CODEN
PRBMDO