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Entropy 2019, 21(3), 233; https://doi.org/10.3390/e21030233

Two-Dimensional Electronic Transport in Rubrene: The Impact of Inter-Chain Coupling

1
Laboratoire de Spectroscopie Atomique Moléculaire et Applications, Département de Physique, Faculté des Sciences de Tunis, Université de Tunis El Manar, Campus Universitaire, 1060 Tunis, Tunisia
2
Laboratoire de Physique théorique et Modélisation, CNRS and Université de Cergy-Pontoise, 95302 Cergy-Pontoise, France
3
Laboratoire de la Physique de la Matière Condensée, Département de Physique, Faculté des Sciences de Tunis, Université de Tunis El Manar, Campus Universitaire, 1060 Tunis, Tunisia
4
CNRS—Université Grenoble Alpes, Inst NEEL, F-38042 Grenoble, France
*
Author to whom correspondence should be addressed.
Received: 5 January 2019 / Revised: 11 February 2019 / Accepted: 21 February 2019 / Published: 28 February 2019
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Abstract

Organic semi-conductors have unique electronic properties and are important systems both at the fundamental level and also for their applications in electronic devices. In this article we focus on the particular case of rubrene which has one of the best electronic transport properties for application purposes. We show that this system can be well simulated by simple tight-binding systems representing one-dimensional (1D) chains that are weakly coupled to their neighboring chains in the same plane. This makes in principle this rubrene system somehow intermediate between 1D and isotropic 2D models. We analyse in detail the dc-transport and terahertz conductivity in the 1D and in the anisotropic 2D models. The transient localisation scenario allows us to reproduce satisfactorily some basics results such as mobility anisotropy and orders of magnitude as well as ac-conductivity in the terahertz range. This model shows in particular that even a weak inter-chain coupling is able to improve notably the propagation along the chains. This suggest also that a strong inter-chain coupling is important to get organic semi-conductors with the best possible transport properties for applicative purposes. View Full-Text
Keywords: organic semi-conductors; rubrene; electrical conductivity; quantum transport; numerical study organic semi-conductors; rubrene; electrical conductivity; quantum transport; numerical study
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Missaoui, A.; Khabthani, J.J.; Trambly de Laissardière, G.; Mayou, D. Two-Dimensional Electronic Transport in Rubrene: The Impact of Inter-Chain Coupling. Entropy 2019, 21, 233.

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