Optical excitations in conjugated polymers
Journal Article
·
· Physical Review Letters
OSTI ID:878513
We investigate optical absorption spectra and excitons in conjugated polymers from first principles. This is done by calculating the one-particle and two-particle Green's function, including relevant many-body effects and evaluating quasiparticle and optical excitations. Trans-polyacetylene and polyphenylene-vinylene are studied as prototype long chain polymers. The electron-hole interaction gives rise to large exciton binding energies ({approx}1 eV) and dramatically alters the optical spectra. The calculated exciton wave functions are very extended in real space.
- Research Organization:
- Ernest Orlando Lawrence Berkeley NationalLaboratory, Berkeley, CA (US)
- Sponsoring Organization:
- USDOE Director. Office of Energy Research. Office of BasicEnergy Sciences. Materials Sciences Division; National Science FoundationGrant DMR-9520554; Deutsche Forschungsgemeinschaft GrangRo-1318/1-1
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 878513
- Report Number(s):
- LBNL--48757; BnR: KC0202030
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 9 Vol. 82; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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