Origin of the 0.89 eV peak in {chi}{sup (3)}(-3{omega};{omega},{omega},{omega}) of polyacetylene: Electron correlation effects

Journal Article · Tue Feb 15 00:00:00 EST 2000 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.61.4377· OSTI ID:20215493

Zhang, G P ^[1]

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1. Department of Physics and Astronomy, The University of Tennessee at Knoxville, Knoxville, Tennessee 37996-1200 (United States)

The third-order optical susceptibility {chi}{sup (3)} of polyacetylene is calculated by the Lanczos-based density-matrix renormalization group. The theoretical results now remarkably agree with two different sets of experimental data: both the positions of two major peaks and their relative intensities. The 0.89 eV peak, originally assigned to a two-photon resonance, is actually a three-photon resonance due to the nB{sub u} state. This state lies above the band-edge state jB{sub u} which itself accounts for a hidden hump on the right shoulder of the 0.6 eV peak. The electron correlation effect is the main origin of these rich features. (c) 2000 The American Physical Society.

• OSTI ID: 20215493
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Vol. 61, Issue 7; Other Information: PBD: 15 Feb 2000; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ORGANIC POLYMERS
POLYACETYLENES
ELECTRON CORRELATION
OPTICAL PROPERTIES
RESONANCE
MULTI-PHOTON PROCESSES
NONLINEAR OPTICS
EXPERIMENTAL DATA