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The structural and electronic properties of a single pentacene molecule and a pentacene molecular crystal, an organic semiconductor, are examined by a first-principles method based on the generalized gradient approximation of density…

Materials Science · Physics 2007-05-23 R. G. Endres , C. Y. Fong , L. H. Yang , G. Witte , Ch. Woll

We explore a network of electronic quantum valley Hall (QVH) states in the moir\'e crystal of minimally twisted bilayer graphene. In our transport measurements we observe Fabry-P\'erot and Aharanov-Bohm oscillations which are robust in…

The orientational dependence of charge carrier mobilities in organic semiconductor crystals and the correlation with the crystal structure are investigated by means of quantum chemical first principles calculations combined with a model…

Materials Science · Physics 2011-04-26 V. Stehr , J. Pfister , R. F. Fink , B. Engels , C. Deibel

We investigated transport, magnetotransport, and broadband optical properties of the half-Heusler compound YbPtBi. Hall measurements evidence two types of charge carriers: highly mobile electrons with a temperature-dependent concentration…

Strongly Correlated Electrons · Physics 2017-04-11 M. B. Schilling , A. Löhle , D. Neubauer , C. Shekhar , C. Felser , M. Dressel , A. V. Pronin

We report a first-principles based study of mesoscopic quantum transport in chemically doped graphene nanoribbons with a width up to 10 nm. The occurrence of quasibound states related to boron impurities results in mobility gaps as large as…

Mesoscale and Nanoscale Physics · Physics 2009-07-09 Blanca Biel , François Triozon , X. Blase , Stephan Roche

Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…

Materials Science · Physics 2015-08-12 Jesper Toft Rasmussen , Tue Gunst , Peter Bøggild , Antti-Pekka Jauho , Mads Brandbyge

Equilibrium molecular dynamics simulations are used to investigate the effect of phase transitions on the transport properties of highly-confined water between parallel graphene sheets. An abrupt reduction by several orders of magnitude in…

Computational Physics · Physics 2019-01-23 Frederike Jaeger , Omar K. Matar , Erich A. Müller

A simple one-stage solution-based method was developed to produce graphene nanoribbons by sonicating graphite powder in organic solutions with polymer surfactant. The graphene nanoribbons were deposited on silicon substrate, and…

The thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2 were characterized between 2 and 650K. As synthesized, the polycrystalline samples are found to have lower p-type carrier concentrations than single-crystalline…

Materials Science · Physics 2012-01-13 A. F. May , M. A. McGuire , J. Ma , O. Delaire , A. Huq , D. J. Singh , W. Cai , H. Wang

We report the transport characteristics of both electrons and holes through narrow constricted crystalline Si "wall-like" long-channels that were surrounded by a thermally grown SiO2 layer. Importantly, as a result of the existence of fixed…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 C. S. Mayberry , Danhong Huang , G. Balakrishnan , C. Kouhestani , N. Islam , S. R. J. Brueck , A. K. Sharma

The novel technique based on air-gap transistor stamps enabled realization of the intrinsic (not dominated by static disorder) transport of the electric-field-induced charge carriers on the surface of rubrene crystals over a wide…

Materials Science · Physics 2009-11-10 V. Podzorov , E. Menard , A. Borissov , V. Kiryukhin , J. A. Rogers , M. E. Gershenson

While boron nitride (BN) substrates have been utilized to achieve high electronic mobilities in graphene field effect transistors, it is unclear how other layered two dimensional (2D) crystals influence the electronic performance of…

Armchair silicene nanoribbons with width of 9-39 silicon atoms are investigated by using self-consistent field crystal orbital method based on density functional theory. The carrier mobilities obtained from deformation potential theory…

Mesoscale and Nanoscale Physics · Physics 2012-09-12 Guo Wang

We report the giant carrier mobility in single crystals of FeSb2. Nonlinear field dependence of Hall resistivity is well described with the two-carrier model. Maximum mobility values in high mobility band reach ~10^5 cm^2/Vs at 8 K, and are…

Strongly Correlated Electrons · Physics 2009-11-13 Rongwei Hu , V. F. Mitrovic , C. Petrovic

Electronic transport through rubrene single-crystal field effect transistors (FETs) is investigated experimentally in the high carrier density regime (n ~ 0.1 carrier/molecule). In this regime, we find that the current does not increase…

Strongly Correlated Electrons · Physics 2009-11-13 S. Fratini , H. Xie , I. N. Hulea , S. Ciuchi , A. F. Morpurgo

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

Elemental tellurium (Te) is a compelling van der Waals material due to its interesting chiral crystal structure and predicted topological properties. Here, we report the fabrication and comprehensive quantum transport study of devices based…

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

In highest quality organic single-crystal field-effect transistors, electron transport occurs in the band-like regime, with the carrier mobility increasing upon lowering temperature. Neither the microscopic nature of this regime, nor why it…

Materials Science · Physics 2016-03-01 Yulia Krupskaya , Marco Gibertini , Nicola Marzari , Alberto F. Morpurgo

The charge transfer integral, site energy and the stacking angle fluctuations are used to study the hole and electron transport in recently synthesized dialkyl substituted thienothiophene caped benzobisthiazole (BDHTT-BBT) and…

Soft Condensed Matter · Physics 2017-05-17 K. Navamani , K. Senthilkumar