Optical Excitations in Conjugated Polymers

Journal Article · Mon Mar 01 00:00:00 EST 1999 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.82.1959· OSTI ID:324931

Rohlfing, M; Louie, S G ^[1]

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1. Department of Physics, University of California, Berkeley, California 94720-7300 (United States)

We investigate optical absorption spectra and excitons in conjugated polymers from first principles. This is done by calculating the one-particle and the two-particle Green{close_quote}s function, including relevant many-body effects, and evaluating quasiparticle and optical excitations. Trans-polyacetylene and poly-phenylene-vinylene are studied as prototype long chain polymers. The electron-hole interaction gives rise to large exciton binding energies ({approximately}1 thinspthinspeV) and dramatically alters the optical spectra. The calculated exciton wave functions are very extended in real space. {copyright} {ital 1999} {ital The American Physical Society}

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 324931
• Journal Information: Physical Review Letters, Vol. 82, Issue 9; Other Information: PBD: Mar 1999
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
POLYMERS
ABSORPTION SPECTRA
EXCITONS
GREEN FUNCTION
MANY-BODY PROBLEM
QUASI PARTICLES
POLYACETYLENES
POLYPHENYLS
ELECTRON-HOLE COUPLING
WAVE FUNCTIONS