Vibronic coupling in quantum wires: applications to polydiacetylene

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 emi...

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Veröffentlicht in:The Journal of chemical physics Jg. 135; H. 5; S. 054906
Hauptverfasser: Yamagata, H, Spano, F C
Format: Journal Article
Sprache:Englisch
Veröffentlicht: United States 07.08.2011
ISSN:1089-7690, 1089-7690
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Abstract 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 1(1)B(u) exciton coherence length and effective mass are readily determined from the ratio of the 0-0 and 0-1 line strengths, I(0 - 0)/I(0 - 1), in the photoluminescence spectrum. I(0 - 0)/I(0 - 1) is shown to follow a T(-1/2) dependence, in an excellent agreement with experiments on the red-phase of polydiacteylene.
AbstractList 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 1(1)B(u) exciton coherence length and effective mass are readily determined from the ratio of the 0-0 and 0-1 line strengths, I(0 - 0)/I(0 - 1), in the photoluminescence spectrum. I(0 - 0)/I(0 - 1) is shown to follow a T(-1/2) dependence, in an excellent agreement with experiments on the red-phase of polydiacteylene.
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 1(1)B(u) exciton coherence length and effective mass are readily determined from the ratio of the 0-0 and 0-1 line strengths, I(0 - 0)/I(0 - 1), in the photoluminescence spectrum. I(0 - 0)/I(0 - 1) is shown to follow a T(-1/2) dependence, in an excellent agreement with experiments on the red-phase of polydiacteylene.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 1(1)B(u) exciton coherence length and effective mass are readily determined from the ratio of the 0-0 and 0-1 line strengths, I(0 - 0)/I(0 - 1), in the photoluminescence spectrum. I(0 - 0)/I(0 - 1) is shown to follow a T(-1/2) dependence, in an excellent agreement with experiments on the red-phase of polydiacteylene.
Author Spano, F C
Yamagata, H
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Title Vibronic coupling in quantum wires: applications to polydiacetylene
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