Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors

Fratini, Simone; Ciuchi, S.

doi:10.1103/physrevlett.103.266601

Cited by 183 publications

(244 citation statements)

References 35 publications

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“…15 and 18 . The results in this paper can be com- pared with those obtained using other methods such as a Green's function approach 43 and variational exact diagonalization with a better construction of phonon states 44 . For example, with an improved numerical technique in Ref.…”

Section: B Transport Propertiesmentioning

confidence: 53%

On the Munn−Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations

Chen

Zhang

et al. 2011

J. Phys. Chem. B

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Improved results using a method similar to the Munn-Silbey approach have been obtained on the temperature dependence of transport properties of an extended Holstein model incorporating simultaneous diagonal and off-diagonal exciton-phonon coupling. The Hamiltonian is partially diagonalized by a canonical transformation, and optimal transformation coefficients are determined in a self-consistent manner. Calculated transport properties exhibit substantial corrections on those obtained previously by Munn and Silbey for a wide range of temperatures thanks to a numerically exact evaluation and an added momentum-dependence of the transformation matrix. Results on the diffusion coefficient in the moderate and weak coupling regime show distinct band-like and hopping-like transport features as a function of temperature.

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Section: B Transport Propertiesmentioning

confidence: 53%

On the Munn−Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations

Chen

Zhang

et al. 2011

J. Phys. Chem. B

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“…The thermal fluctuation effects of molecular motion have been discussed for transport properties of organic semiconductors. [4][5][6][7][8][9][10] We present numerical data of transfer energy fluctuations of pentacene at various temperatures and pressures, and we compare them with experimental observations of a. As a result, we find a strong correlation between these two factors.…”

mentioning

confidence: 69%

Correlation between thermal fluctuation effects and phase coherence factor in carrier transport of single-crystal organic semiconductors

Fukami

Ishii

Kobayashi

et al. 2015

Applied Physics Letters

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We find that the phase coherence factor derived from Hall effect measurements of single-crystal thin-film field-effect transistors of pentacene, which relates the intrinsic charge transport with the phase coherence, has a strong correlation with the thermal fluctuations of transfer energies between neighboring molecules. This observation also holds true for other organic semiconductors such as tetracene, dianthrathiophene (DAT)-V, and dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene (DNTT). This gives us clues for constructing flexible molecular systems with high carrier mobility.

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“…Model Hamiltonian.-The minimal model which accounts for the coupling to low-frequency molecular displacements in organic semiconductors can be written in second quantization as [11,19,62] …”

Section: A Paradigmatic Modelmentioning

confidence: 99%

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

Fratini

Mayou

Ciuchi

2016

Adv Funct Materials

338

452

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Charge transport in crystalline organic semiconductors is intrinsically limited by the presence of large thermal molecular motions, which are a direct consequence of the weak van der Waals inter-molecular interactions. These lead to an original regime of transport called transient localization, sharing features of both localized and itinerant electron systems. After a brief review of experimental observations that pose a challenge to the theory, we concentrate on a commonly studied model which describes the interaction of the charge carriers with inter-molecular vibrations. We present different theoretical approaches that have been applied to the problem in the past, and then turn to more modern approaches that are able to capture the key microscopic phenomenon at the origin of the puzzling experimental observations, i.e. the quantum localization of the electronic wavefuntion at timescales shorter than the typical molecular motions. We describe in particular a relaxation time approximation which clarifies how the transient localization due to dynamical molecular motions relates to the Anderson localization realized for static disorder, and allows us to devise strategies to improve the mobility of actual compounds. The relevance of the transient localization scenario to other classes of systems is briefly discussed.

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Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors

Cited by 183 publications

References 35 publications

On the Munn−Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations

On the Munn−Silbey Approach to Polaron Transport with Off-Diagonal Coupling and Temperature-Dependent Canonical Transformations

Correlation between thermal fluctuation effects and phase coherence factor in carrier transport of single-crystal organic semiconductors

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

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