Ultrafast real-time vibronic coupling of a breather soliton in<i>trans</i>-polyacetylene using a laser pulse with few cycles

Teramoto, Tokuo; Wang, Zhuan; Kobryanskii, V.M.; Taneichi, Takashi; Kobayashi, Takayoshi

doi:10.1103/physrevb.79.033202

Cited by 8 publications

(7 citation statements)

References 26 publications

(29 reference statements)

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“…In spite of its simplicity, the SSH Hamiltonian is remarkably successful in capturing the electronic structure of PA, its photoinduced vibronic dynamics and the rich photophysics of polarons, breathers and kinks [1,[29][30][31]. This model is often used to study the dynamical features caused by strong electron-ion couplings [1,32,33].…”

Section: Figmentioning

confidence: 99%

Electronic coherence dynamics in trans-polyacetylene oligomers

Franco

Brumer

2012

The Journal of Chemical Physics

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Electronic coherence dynamics in trans-polyacetylene oligomers are considered by explicitly computing the time dependent molecular polarization from the coupled dynamics of electronic and vibrational degrees of freedom in a mean-field mixed quantum-classical approximation. The oligomers are described by the Su-Schrieffer-Heeger Hamiltonian and the effect of decoherence is incorporated by propagating an ensemble of quantum-classical trajectories with initial conditions obtained by sampling the Wigner distribution of the nuclear degrees of freedom. The electronic coherence of superpositions between the ground and excited and between pairs of excited states is examined for chains of different length, and the dynamics is discussed in terms of the nuclear overlap function that appears in the off-diagonal elements of the electronic reduced density matrix. For long oligomers the loss of coherence occurs in tens of femtoseconds. This timescale is determined by the decay of population into other electronic states through vibronic interactions, and is relatively insensitive to the type and class of superposition considered. By contrast, for smaller oligomers the decoherence timescale depends strongly on the initially selected superposition, with superpositions that can decay as fast as 50 fs and as slow as 250 fs. The long-lived superpositions are such that little population is transferred to other electronic states and for which the vibronic dynamics is relatively harmonic.

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Section: Figmentioning

confidence: 99%

Electronic coherence dynamics in trans-polyacetylene oligomers

Franco

Brumer

2012

The Journal of Chemical Physics

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“…[14 -16] High-pressure Raman studies are useful in discerning the existence of phase transitions and soft modes associated with compression of the matrix and/or the crystal. The present high-pressure vibrational study is also relevant to reports of coherent electron-lattice vibrations [9,17] and vibronic coupling dynamics of soliton modes [18,19] in NPA.…”

Section: Introductionmentioning

confidence: 86%

High‐pressure Raman spectroscopy of nanoparticle polyacetylene in a poly(vinyl‐butyral) matrix

McIntire

Zhao²,

Kobryanskii

et al. 2011

J Raman Spectroscopy

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The pressure-induced Raman shifts of six vibrational bands of 20% and 50% trans-polyacetylene nanoparticles in poly(vinylbutyral) matrix films (NPA/PVB) were studied from 0 to 45 kbar using a diamond anvil cell (DAC). The Raman shifts did not depend on the thickness of the two samples studied. Two of the vibrational bands displayed peak positions that depended on the isomeric compositions, with the 20% trans-NPA/PVB bands being slightly blue-shifted relative to the 50% trans-NPA/PVB bands over the 45 kbar pressure range. The Raman bands of NPA/PVB associated with the trans form initially exhibited a relatively large shift at low pressures (P < 10 kbar) along with a drastic change in their band profile. In order to investigate the relative shielding of the vibrational modes studied, a Grüneisen analysis of the pressure-induced shifts was conducted by estimating the parameters of the Murnaghan equation of state for solid polyacetylene (PA). Four of the six vibrational modes were found to be sensitive to compression of the interchain void space, while the other two modes were insensitive, indicating that they are relatively shielded from the compression of the sample.

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“…The frequencies of these two modes are nearly equal to the overtones of 1111 cm -1 , which may affect the dynamics of the breather. Because both amplitude modulation (AM) and frequency modulation (FM) can affect the vibrational amplitude of the single and double C-C bonds [30], we also calculated the ratios of the amplitude of FM to that of AM; they were about 0.11 and 0.03 for the 1111 and 1343 cm -1 modes, respectively. Similar feature is found for the positive absorbance change, as shown in Fig.…”

Section: Dynamics Of Breather and Solitonmentioning

confidence: 99%

Observation of breather and soliton in a substituted polythiophene with a degenerate ground state

Kobayashi

Feng

et al. 2010

Phys. Status Solidi (c)

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The ultrafast dynamics of a unique polythiophene derivative that has a degenerate ground state due to a quantum mechanical resonance was investigated using a sub‐5‐fs pulse laser. The method allowed us to study the electronic relaxation and vibrational dynamics in completely same conditions at the same time. The dynamics of a breather composed of a dynamic bound state of solitons generated immediately after photoexcitation was time‐resolved to reveal coupling between the vibrational modes and the solitons. The C‐C and C=C stretching modes were found to be modulated by the breather, whose lifetime was determined to be 30‐50 fs. The results of quantum‐chemical excited‐state molecular dynamics simulation are consistent with experimental results. Our modeling results allow to identify related vibrational normal modes strongly coupled to the electronic degrees of freedom. Moreover, analysis of calculated trajectories of excited state shows appearance of short‐lived breather excitation decaying due to intramolecular vibrational energy equilibration on a timescale of hundreds of femtoseconds, which also agrees well with the experimental results. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Ultrafast real-time vibronic coupling of a breather soliton intrans-polyacetylene using a laser pulse with few cycles

Cited by 8 publications

References 26 publications

Electronic coherence dynamics in trans-polyacetylene oligomers

Electronic coherence dynamics in trans-polyacetylene oligomers

High‐pressure Raman spectroscopy of nanoparticle polyacetylene in a poly(vinyl‐butyral) matrix

Observation of breather and soliton in a substituted polythiophene with a degenerate ground state

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