Polaron properties in pentathienoacene crystals

A two-dimensional tight-binding model is used to study static and dynamical properties of polarons in pentathienoacene crystals. Our computational approach determines the spacial parameter to obtain stable polarons in these materials by using a version of the Holstein–Peierls Hamiltonian. The model...

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Bibliographic Details
Published in:Synthetic metals 2019-07, Vol.253, p.34-39
Main Authors: Pereira Junior, Marcelo Lopes, da Costa Torres, Rayane Tayná, Enders, Bernhard Georg, da Cunha, Wiliam Ferreira, de Sousa Júnior, Rafael Timoteo, Ribeiro Júnior, Luiz Antonio
Format: Article
Language:English
Subjects:
Charge transport
Crystals
Electric fields
Organic molecular crystals
Organic semiconductors
Pentathienoacene
Polaron properties
Polarons
Two dimensional models
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Summary:A two-dimensional tight-binding model is used to study static and dynamical properties of polarons in pentathienoacene crystals. Our computational approach determines the spacial parameter to obtain stable polarons in these materials by using a version of the Holstein–Peierls Hamiltonian. The model takes intra and intermolecular electron-lattice interactions into account. Remarkably, the results show that the charge transport mechanism is essentially one-dimensional in pentathienoacene crystals. This property is due to the nature of the polaron localization. Moreover, we show that the polaron dynamics can occur for an electric field threshold that overcomes the standard value of organic crystalline semiconductors.
ISSN:0379-6779
1879-3290
DOI:10.1016/j.synthmet.2019.04.016