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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 25042418
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ABSORPTION SPECTRA; ELECTRON CORRELATION; ELECTRON-ELECTRON INTERACTIONS; ELECTRONIC STRUCTURE; EXCITED STATES; FULLERENES; HUBBARD MODEL; PERTURBATION THEORY
- Descriptors DEC
- CARBON; CORRELATIONS; CRYSTAL MODELS; ELEMENTS; ENERGY LEVELS; INTERACTIONS; LEPTON-LEPTON INTERACTIONS; MATHEMATICAL MODELS; NONMETALS; PARTICLE INTERACTIONS; SPECTRA