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The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport…

Mesoscale and Nanoscale Physics · Physics 2010-04-28 Denis A. Areshkin , Branislav K. Nikolic

In the paper we consider the system composed of two magnetic planes attached to zigzag terminations of the graphene nanostructure being an ultrashort fragment of the armchair nanoribbon. We investigate theoretically an indirect coupling…

Mesoscale and Nanoscale Physics · Physics 2014-08-20 Karol Szałowski

We investigate the electronic structure of graphene on a series of 2D hexagonal nitride insulators hXN, X = B, Al, and Ga, with DFT calculations. A symmetry-based model Hamiltonian is employed to extract orbital parameters and spin-orbit…

Mesoscale and Nanoscale Physics · Physics 2021-02-18 Klaus Zollner , Aron W. Cummings , Stephan Roche , Jaroslav Fabian

We study electronic transport in graphene nanoribbons with rough edges. We first consider a model of weak disorder that corresponds to an armchair ribbon whose width randomly changes by a single unit cell size. We find that in this case,…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Ivar Martin , Ya. M. Blanter

We report an electron transport study of lithographically fabricated graphene nanoribbons of various widths and lengths at different temperatures. At the charge neutrality point, a length-independent transport gap forms whose size is…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Melinda Y. Han , Juliana C. Brant , Philip Kim

We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…

Spin excitation in a nano-graphite ribbon with zigzag edges is investigated theoretically. Due to the strongly localized nature of the states near Fermi energy, the effective Hamiltonian for the low energy physics is given by Heisenberg…

Strongly Correlated Electrons · Physics 2009-11-10 H. Yoshioka

The electronic properties of graphene are influenced by both geometric confinement and strain. We study the electronic structure of in-plane bent graphene nanoribbons, systems where confinement and strain are combined. To understand its…

Mesoscale and Nanoscale Physics · Physics 2015-08-21 S. G. Stuij , P. H. Jacobse , V. Juricic , C. Morais Smith

We report a theoretical low-field magnetotransport study unveiling the effect of pseudospin in realistic models of weakly disordered graphene-based materials. Using an efficient Kubo computational method, and simulating the effect of…

Mesoscale and Nanoscale Physics · Physics 2016-03-11 Frank Ortmann , Alessandro Cresti , Gilles Montambaux , Stephan Roche

Tailor-made magnetic nanostructures offer a variety of functionalities useful for technological applications. In this work, we explore the possibilities of realizing Fe nanostructures at the interfaces of 2D graphene and h-BN by ab initio…

Materials Science · Physics 2013-10-22 Soumyajyoti Haldar , Pooja Srivastava , Olle Eriksson , Prasenjit Sen , Biplab Sanyal

The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…

Mesoscale and Nanoscale Physics · Physics 2020-11-24 Kristiāns Čerņevičs , Oleg V. Yazyev , Michele Pizzochero

Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band…

Mesoscale and Nanoscale Physics · Physics 2013-07-03 Changwon Park , Jisoon Ihm , Gunn Kim

Realizing magnetism in graphene/carbon nanostructures is a decade-long challenge. The magnetic edge state and half metallicity in zigzag graphene nanoribbons are particularly promising [Y.-W. Son, et al., Nature 444, 347 (2006)]. However,…

Mesoscale and Nanoscale Physics · Physics 2018-12-05 Shiyuan Gao , Li Yang

We study the conductance through two types of graphene nanostructures: nanoribbon junctions in which the width changes from wide to narrow, and curved nanoribbons. In the wide-narrow structures, substantial reflection occurs from the…

Mesoscale and Nanoscale Physics · Physics 2009-10-29 J. Wurm , M. Wimmer , I. Adagideli , K. Richter , H. U. Baranger

We determine, by means of density functional theory, the stability and the structure of graphene nanoribbon (GNR) edges in presence of molecules such as oxygen, water, ammonia, and carbon dioxide. As in the case of hydrogen-terminated…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Ari P. Seitsonen , A. Marco Saitta , Tobias Wassmann , Michele Lazzeri , Francesco Mauri

We present electronic transport measurements on etched graphene nanoribbons on silicon dioxide before and after a short hydrouoric acid (HF) treatment. We report on changes in the transport properties, in particular, in terms of a…

Mesoscale and Nanoscale Physics · Physics 2014-04-15 Jan Dauber , Bernat Terrés , Christian Volk , Stefan Trellenkamp , Christoph Stampfer

Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been…

Mesoscale and Nanoscale Physics · Physics 2018-05-02 V. Torres , D. Faria , A. Latgé

Using first principles calculations, we studied a new class of graphdiyne nanoribbons (GDYNR) with open hexagonal rings on the edges.To avoid the effects from dangling bond, hydrogen or oxygen atoms were absorbed on the edges. There are two…

Materials Science · Physics 2017-09-12 Cong Chen , Jin Li , Xian-Lei Sheng

We study orbital and spin-orbit proximity effects in graphene adsorbed to the Cu(111) surface by means of density functional theory (DFT). The proximity effects are caused mainly by the hybridization of graphene $\pi$ and copper d orbitals.…

Mesoscale and Nanoscale Physics · Physics 2016-04-27 Tobias Frank , Martin Gmitra , Jaroslav Fabian

We study graphene nanoribbons (GNRs) with armchair edges in the presence of Rashba spin-orbit interaction (RSOI). We impose the boundary conditions on the tight binding Hamiltonians for bulk graphene with RSOI by means of a sine transform…

Mesoscale and Nanoscale Physics · Physics 2014-01-07 Lucia Lenz , Daniel F. Urban , Dario Bercioux
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