A theory describing vibronic coupling in direct band gap, one-dimensional semiconductors is developed to account for the photophysical properties of isolated, defect-free conjugated polymers. A Holstein-like Hamiltonian represented in a multi-particle basis set is used to evaluate absorption and emission due to Wannier-Mott excitons. The photophysical properties of such quantum wires are shown to strongly resemble those of Frenkel exciton J-aggregates. The 11Bu exciton coherence length and effective mass are readily determined from the ratio of the 0–0 and 0–1 line strengths, I0 − 0/I0 − 1, in the photoluminescence spectrum. I0 − 0/I0 − 1 is shown to follow a T−1/2 dependence, in an excellent agreement with experiments on the red-phase of polydiacteylene.
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7 August 2011
Research Article|
August 05 2011
Vibronic coupling in quantum wires: Applications to polydiacetylene
H. Yamagata;
H. Yamagata
Department of Chemistry,
Temple University
, Philadelphia, Pennsylvania 19122, USA
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F. C. Spano
F. C. Spano
a)
Department of Chemistry,
Temple University
, Philadelphia, Pennsylvania 19122, USA
Search for other works by this author on:
a)
Author to whom correspondence should be addressed. Electronic mail: spano@temple.edu.
J. Chem. Phys. 135, 054906 (2011)
Article history
Received:
June 08 2011
Accepted:
July 08 2011
Citation
H. Yamagata, F. C. Spano; Vibronic coupling in quantum wires: Applications to polydiacetylene. J. Chem. Phys. 7 August 2011; 135 (5): 054906. https://doi.org/10.1063/1.3617432
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