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With nonequilibrium Green's function approach combined with density functional theory, we perform an ab initio calculation to investigate transport properties of graphene nanoribbon junctions self-consistently. Tight-binding approximation…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 G. Yin , Y. Y. Liang , F. Jiang , H. Chen , P. Wang , R. Note , H. Mizuseki , Y. Kawazoe

We investigate the aspects of the electron transport in the zigzag graphene nanoribbons (ZGNRs) using the non-equilibrium Green's function (NEGF) formalism. The latter is an esoteric tool in mesoscopic physics and using this tool the…

Strongly Correlated Electrons · Physics 2019-06-03 Pankaj Bhalla , Surender Pratap

This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene…

Materials Science · Physics 2024-02-12 K. Nepal , C. Ugwumadu , A. Gautam , K. Kappagantula , D. A. Drabold

In this paper, optical properties of Chiral Graphene Nanoribbons both in longitude and transverse polarization have been studied using density functional theory calculation. It has been shown that the selection rule which have been reported…

Mesoscale and Nanoscale Physics · Physics 2012-05-22 M. Berahman , M. Asad , M. H. Sheikhi

We present theoretical simulations of the electronic properties of graphene-like two-dimensional (2D) carbon networks with a periodic arrangement of defect lines formed by alternating four- and eight-membered rings. These networks can be…

Mesoscale and Nanoscale Physics · Physics 2025-04-14 Roland Gillen , Janina Maultzsch

The alkali-adsorbed graphene nanoribbons exhibit the feature-rich electronic and magnetic properties. From the first-principles calculations, there are only few adatom-dominated conduction bands, and the other conduction and valence bands…

Mesoscale and Nanoscale Physics · Physics 2016-09-20 Yu-Tsung Lin , Shih-Yang Lin , Yu-Huang Chiu , Ming-Fa Lin

We report a detailed analytic investigation of the interplay between size quantization and local scattering centers in armchair graphene nanoribbons, as seen in the conductance. The scattering property of a local scattering center is…

Mesoscale and Nanoscale Physics · Physics 2014-08-06 Anders Bergvall , Tomas Lofwander

We consider an effect of weak impurities on electronic properties of graphene within the functional renormalization-group approach. The energy dependences of the electronic self-energy and density of states near the neutrality point are…

Strongly Correlated Electrons · Physics 2013-12-10 A. Katanin

The energy spectrum and electronic density of states (DOS) of zigzag graphene nanoribbons with edges reconstructed with topological defects are investigated within the tight-binding method. In case of the Stone-Wales zz (57) edge the…

Mesoscale and Nanoscale Physics · Physics 2015-11-11 Richard Pincak , Jan Smotlacha , Vladimir A. Osipov

Graphene nanoribbons' electronic transport properties strongly depend on the type of edge, armchair, zigzag or other, and on edge functionalization that can be used for band-gap engineering. For only partly hydrogenated edges interesting…

Mesoscale and Nanoscale Physics · Physics 2021-11-12 Sebastian Schneider , Regina Hoffmann-Vogel

We discuss various scattering mechanisms for Dirac fermions in single-layer graphene. It is shown that scattering on a short-range potential (due to, for example, neutral impurities) is mostly irrelevant for electronic quality of graphene,…

Mesoscale and Nanoscale Physics · Physics 2007-12-06 M. I. Katsnelson , A. K. Geim

The presence of strong disorder in graphene nanoribbons yields low-mobility diffusive transport at high charge densities, whereas a transport gap occurs at low densities. Here, we investigate the longitudinal and transverse…

Mesoscale and Nanoscale Physics · Physics 2012-09-03 Fabian Duerr , Jeroen B. Oostinga , Charles Gould , Laurens W. Molenkamp

Gaussian deformation in graphene structures exhibits an interesting effect in which flower-shaped confinement states are observed in the deformed region [Carrillo-Bastos et al., Phys. Rev. B 90 041411 (2014)]. To exploit such a deformation…

Mesoscale and Nanoscale Physics · Physics 2020-08-19 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus

We have carried out an ab initio study of the structural, electronic and magnetic properties of zigzag graphene nanoribbons on Cu(111), Ag(111) and Au(111). Both, H-free and H-terminated nanoribbons are considered revealing that the…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Yan Li , Wei Zhang , Markus Morgenstern , Riccardo Mazzarello

We investigate higher-order plasmons in graphene nanoribbons, and present how electronic edge states and wavefunction fine structure influence the graphene plasmons. Based on nearest-neighbor tight-binding calculations, we find that a…

Mesoscale and Nanoscale Physics · Physics 2019-01-09 Kåre Obel Wedel , N. Asger Mortensen , Kristian S. Thygesen , Martijn Wubs

The electronic and magnetic properties of zigzag graphene nanoribbons with asymmetric notches along their edges are investigated by first principle density functional theory calculations. It is found that the electronic and magnetic…

Mesoscale and Nanoscale Physics · Physics 2015-08-14 Guang-Yao Song , Qing-Hong Yuan , Wen-Xin Hu , De-Yan Sun

We theoretically study current dynamics of graphene nanoribbons subject to bias dc and ac driven fields. We showed that graphene nanoribbons exhibit negative high-harmonic differential conductivity. Negative differential conductivity…

Materials Science · Physics 2015-02-18 M. Rabiu , S. Y. Mensah , S. S. Abukari

We study the electronic band structure and optical conductivity of an array of tunnel-coupled array of graphene nanoribbons. We show that due to the coupling of electronic edge states for the zigzag nanoribbon structure, the Fermi surface…

Optics · Physics 2015-06-23 Ivan Iorsh , Iurii Trushkov

We investigate the effects of long-range potential fluctuations and electron-electron interactions on electronic and magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. We show that…

Mesoscale and Nanoscale Physics · Physics 2016-01-19 H. U. Özdemir , A. Altıntaş , A. D. Güçlü

Edge states in narrow quasi two-dimensional nanostructures determine, to a large extent, their electric, thermoelectric and magnetic properties. Non-magnetic edge states may quite often lead to topological insulator type behavior. However…

Mesoscale and Nanoscale Physics · Physics 2017-10-31 Stefan Krompiewski , Gianaurelio Cuniberti