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The transport properties at finite temperature of crystalline organic semiconductors are investigated, within the Su-Schrieffer-Heeger model, by combining exact diagonalization technique, Monte Carlo approaches, and maximum entropy method.…

Materials Science · Physics 2015-02-26 G. De Filippis , V. Cataudella , A. S. Mishchenko , N. Nagaosa , A. Fierro , A. de Candia

We present a multiscale modeling of the infrared optical properties of the rubrene crystal. The results are in very good agreement with the experimental data that point to nonmonotonic features in the optical conductivity spectrum and small…

Materials Science · Physics 2015-01-05 Yuan Li , Yuanping Yi , Veaceslav Coropceanu , Jean-Luc Brédas

We present a novel theory of charge-carrier mobilities in organic molecular crystals of high purity. Our approach is based on Holstein's original concept of small-polaron bands but generalized with respect to the inclusion of nonlocal…

Soft Condensed Matter · Physics 2007-05-23 K. Hannewald , P. A. Bobbert

Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene aiming to show that…

Strongly Correlated Electrons · Physics 2014-03-25 C. A. Perroni , F. Gargiulo , A. Nocera , V. Marigliano Ramaglia , V. Cataudella

We present measurements of the transient photoconductivity in pentacene single crystals using optical-pump THz-probe spectroscopy. We have measured the temperature and fluence dependence of the mobility of the photoexcited charge carriers…

Condensed Matter · Physics 2016-01-26 V. K. Thorsmolle , R. D. Averitt , X. Chi , D. J. Hilton , D. L. Smith , A. P. Ramirez , A. J. Taylor

Predicting the electrical properties of organic molecular crystals (OMCs) is challenging due to their complex crystal structures and electron-phonon (e-ph) interactions. Charge transport in OMCs is conventionally categorized into two…

Materials Science · Physics 2022-04-22 Benjamin K. Chang , Jin-Jian Zhou , Nien-En Lee , Marco Bernardi

Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry methods based on charge hopping, which are laborious and only…

Materials Science · Physics 2018-03-21 Nien-En Lee , Jin-Jian Zhou , Luis A. Agapito , Marco Bernardi

Understanding heat transport in organic semiconductors is of fundamental and practical relevance. Therefore, we study the lattice thermal conductivities of a series of (oligo)acenes, where an increasing number of rings per molecule leads to…

Materials Science · Physics 2024-12-09 Lukas Legenstein , Lukas Reicht , Sandro Wieser , Michele Simoncelli , Egbert Zojer

We have synthesized, crystallized and studied the structural and electric transport properties of organic molecular crystals based on a rubrene derivative with {\em t}-butyl sidegroups at the 5,11 positions. Two crystalline modifications…

Materials Science · Physics 2007-12-03 S. Haas , A. F. Stassen , G. Schuck , K. P. Pernstich , D. J. Gundlach , B. Batlogg , U. Berens , H. -J. Kirner

Pristine graphene and graphene-based heterostructures exhibit exceptionally high electron mobility and conductance if their surface contains few electron-scattering impurities. Here, we reveal a universal connection between graphene's…

The optical conductivity of charge carriers coupled to quantum phonons is studied in the framework of the one-dimensional spinless Holstein model. For one electron, variational diagonalisation yields exact results in the thermodynamic…

Strongly Correlated Electrons · Physics 2007-06-13 Jan Loos , Martin Hohenadler , Andreas Alvermann , Holger Fehske

Electron-phonon interactions play a key role in many branches of solid-state physics. Here, our focus is on the transport properties of one-dimensional systems, and we apply efficient real-time matrix-product state methods to compute the…

Strongly Correlated Electrons · Physics 2023-08-21 David Jansen , Fabian Heidrich-Meisner

Organic semiconductors based on small conjugated molecules generally behave as insulators when undoped, but the hetero-interfaces of two such materials can show electrical conductivity as large as in a metal. Although charge transfer is…

The anomalous charge transport observed in some strongly correlated metals raises questions as to the universal applicability of Landau Fermi liquid theory. The coherence temperature $T_{FL}$ for normal metals is usually taken to be the…

Strongly Correlated Electrons · Physics 2021-05-12 Youcheng Wang , H. P. Nair , N. J. Schreiber , J. P. Ruf , Bing Cheng , D. G. Schlom , K. M. Shen , N. P. Armitage

We have obtained a hole mobility for the organic conductor pentacene of 35 cm2/Vs at room temperature increasing to 58 cm2/Vs at 225K. These high mobilities result from a purification process in which 6,13-pentacenequinone was removed by…

Soft Condensed Matter · Physics 2009-11-10 Oana D. Jurchescu , Jacob Baas , Thomas T. M. Palstra

Dynamical properties are notoriously difficult to compute in numerical treatments of the Fermi-Hubbard model, especially in two spatial dimensions. However, they are essential in providing us with insight into some of the most important and…

Strongly Correlated Electrons · Physics 2026-02-04 Linh Pham , Ehsan Khatami

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…

Materials Science · Physics 2019-03-04 A. Missaoui , J. J. Khabthani , G. Trambly de Laissardiere , D. Mayou

Transport properties, spectral function and optical conductivity of the adiabatic one-dimensional Su-Schrieffer-Heeger (SSH) model are studied with particular emphasis on the model parameters suitable for Rubrene single crystals based field…

Strongly Correlated Electrons · Physics 2015-05-20 Vittorio Cataudella , Giulio De Filippis , Perroni Carmine Antonio

We study the transport of ultracold impurity atoms immersed in a Bose-Einstein condensate (BEC) and trapped in a tight optical lattice. Within the strong-coupling regime, we derive an extended Hubbard model describing the dynamics of the…

Quantum Physics · Physics 2008-03-11 M. Bruderer , A. Klein , S. R. Clark , D. Jaksch

The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…

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