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Carrier injection into carbon nanotubes and graphene nanoribbons, contacted by a metal coating over an arbitrary length, is studied by various means: Minimal models allow for exact analytic solutions which can be transferred to the original…

Mesoscale and Nanoscale Physics · Physics 2008-04-30 Norbert Nemec , David Tomanek , Gianaurelio Cuniberti

We simulate electron transport through graphene nanoribbons of experimentally realizable size (length L up to 2 micrometer, width W approximately 40 nm) in the presence of scattering at rough edges. Our numerical approach is based on a…

Mesoscale and Nanoscale Physics · Physics 2012-12-11 F. Libisch , S. Rotter , J. Burgdörfer

We have recently shown that by using a scaling approach for randomly distributed topological defects in graphene, reliable estimates for transmission properties of macroscopic samples can be calculated based even on single-defect…

Mesoscale and Nanoscale Physics · Physics 2012-12-17 Karri Saloriutta , Andreas Uppstu , Ari Harju , Martti J. Puska

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

Graphene nanoribbons and constrictions are envisaged as fundamental components of future carbon-based nanoelectronic and spintronic devices. At nanoscale, electronic effects in these devices depend heavily on the dimensions of the active…

We study the effect of a structural nanoconstriction on the coherent transport properties of otherwise ideal zig-zag-edged infinitely long graphene ribbons. The electronic structure is calculated with the standard one-orbital tight-binding…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 F. Muñoz-Rojas , D. Jacob , J. Fernández-Rossier , J. J. Palacios

We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms…

Mesoscale and Nanoscale Physics · Physics 2010-09-29 Shengjun Yuan , Hans De Raedt , Mikhail I. Katsnelson

Accurate determination of carrier transport properties in two-dimensional (2D) materials is critical for designing high-performance nano-electronic devices and quantum information platforms. While first-principles calculations effectively…

Mesoscale and Nanoscale Physics · Physics 2020-12-04 Sathwik Bharadwaj , Ashwin Ramasubramaniam , L. R. Ram-Mohan

In a recent paper Liang {\it et al.} [Nature {\bf 411}, 665 (2001)] showed experimentally, that metallic nanotubes, strongly coupled to external electrodes, may act as coherent molecular waveguides for electronic transport. The experimental…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 S. Krompiewski , J. Martinek , J. Barnas

Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real…

Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing…

Mesoscale and Nanoscale Physics · Physics 2010-09-28 Oleg V. Yazyev , Steven G. Louie

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

Graphene has opened new avenues of research in quantum transport, with potential applications for coherent electronics. Coherent transport depends sensitively on scattering from microscopic disorder present in graphene samples: electron…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Jesse Berezovsky , Robert M Westervelt

Charge carrier transport in single-layer graphene with one-dimensional charged defects is studied theoretically. Extended charged defects, considered an important factor for mobility degradation in chemically-vapor-deposited graphene, are…

Mesoscale and Nanoscale Physics · Physics 2013-08-15 T. M. Radchenko , A. A. Shylau , I. V. Zozoulenko , A. Ferreira

We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…

Mesoscale and Nanoscale Physics · Physics 2021-01-20 Yoshiyuki Egami , Shigeru Tsukamoto , Tomoya Ono

The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirement's…

Mesoscale and Nanoscale Physics · Physics 2012-10-01 Ming-Hao Liu , Klaus Richter

Quantum-confined semiconductor structures are the cornerstone of modern-day electronics. Spatial confinement in these structures leads to formation of discrete low-dimensional subbands. At room temperature, carriers transfer among different…

Mesoscale and Nanoscale Physics · Physics 2009-08-14 I. Knezevic , E. B. Ramayya , D. Vasileska , S. M. Goodnick

Ultra-clean graphene sheets encapsulated between hexagonal boron nitride crystals host two-dimensional electron systems in which low-temperature transport is solely limited by the sample size. We revisit the theoretical problem of carrying…

Mesoscale and Nanoscale Physics · Physics 2016-10-04 M. Beconcini , S. Valentini , R. Krishna Kumar , G. H. Auton , A. K. Geim , L. A. Ponomarenko , M. Polini , F. Taddei

We study electronic quantum transport in graphene nanoribbon (GNR) networks on mesoscopic length scales. We focus on zigzag GNRs and investigate the conductance properties of statistical networks. To this end we use a…

Mesoscale and Nanoscale Physics · Physics 2023-01-11 Tom Simon Rodemund , Fabian Teichert , Martina Hentschel , Jörg Schuster

We propose an extensive report on the simulation of electronic transport in 2D graphene in presence of structural defects. Amongst the large variety of such defects in sp$^2$ carbon-based materials, we focus on the Stone-Wales defect and on…

Mesoscale and Nanoscale Physics · Physics 2012-08-03 Aurelien Lherbier , Simon M. -M. Dubois , Xavier Declerck , Yann-Michel Niquet , Stephan Roche , Jean-Christophe Charlier
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