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The evolution of electronic wave packets (WPs) through grain boundaries (GBs) of various structures in graphene was investigated by the numerical solution of the time-dependent Schroedinger equation. WPs were injected from a simulated STM…

Mesoscale and Nanoscale Physics · Physics 2013-08-12 Péter Vancsó , Géza I. Márk , Philippe Lambin , Alexandre Mayer , Yong-Sung Kim , Chanyong Hwang , László P. Biró

The effect of grain boundaries and wrinkles on the electrical properties of polycrystalline graphene is pronounced. Here we investigate the stitching between grains of polycrystalline graphene, specifically, overlapping of layers at the…

Materials Science · Physics 2014-06-09 Rahul Rao , Neal Pierce , Avetik R. Harutyunyan

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

By applying tight binding model of adatoms in graphene, we study theoretically the localized aspects of the interaction between transition metal atoms and graphene. Considering the electron-electron interaction by adding a Hubbard term in…

Strongly Correlated Electrons · Physics 2018-06-14 F. Escudero , J. S. Ardenghi , L. Sourrouille , P. Jasen , A. Juan

Application of secondary quantized self-consistent Dirac -- Hartree -- Fock approach to consider electronic properties of monolayer graphene with accounting of spin-polarized states allows to coherently explain experimental results on…

Mesoscale and Nanoscale Physics · Physics 2013-09-10 H. V. Grushevskaya , G. G. Krylov

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

We study theoretically the effects of short-range electron-electron interactions on the electronic structure of graphene, in the presence of single substitutional impurities. Our computational approach is based on the $\pi$ orbital…

Mesoscale and Nanoscale Physics · Physics 2015-11-30 Faluke Aikebaier , Anna Pertsova , Carlo M. Canali

Conducting steady-states of doped bilayer graphene have a non-zero sublattice pseudospin polarization. Electron-electron interactions renormalize this polarization even at zero temperature, when the phase space for electron-electron…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Wei-Zhe Liu , Allan H. MacDonald , Dimitrie Culcer

As most materials available in macroscopic quantities, graphene appears in a polycrystalline form and thus contains grain boundaries. In the present work, the effect of uniaxial strain on the electronic transport properties through graphene…

Mesoscale and Nanoscale Physics · Physics 2016-06-07 Viet Hung Nguyen , Trinh Xuan Hoang , Philippe Dollfus , Jean-Christophe Charlier

Chemical functionalization has proven to be a promising means of tailoring the unique properties of graphene. For example, hydrogenation can yield a variety of interesting effects, including a metal-insulator transition or the formation of…

Mesoscale and Nanoscale Physics · Physics 2025-06-06 Jose E. Barrios Vargas , Jesper T. Falkenberg , David Soriano , Aron W. Cummings , Mads Brandbyge , Stephan Roche

Using the self-consistent Hartree-Fock approximation, we study the compressibility instability of the interacting electrons in bilayer graphene. The chemical potential and the compressibility of the electrons can be significantly altered by…

Strongly Correlated Electrons · Physics 2011-01-11 Xin-Zhong Yan , C. S. Ting

We analyze interaction effects on boundary states of single layer graphene. Near a half filled band, both short and long-ranged interactions lead to a fully spin polarized configuration. In addition, the band of boundary states acquires a…

Strongly Correlated Electrons · Physics 2008-07-17 B. Wunsch , T. Stauber , F. Sols , F. Guinea

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

We derive the local density of states from itinerant and boundary states around transport barriers and edges in graphene and show that the itinerant states lead to mesoscale undulations that could be used to probe their scattering…

Mesoscale and Nanoscale Physics · Physics 2015-04-17 Daniel Gunlycke , Carter T. White

We consider the effect of the Coulomb interaction in strained graphene using tight-binding approximation together with the Hartree-Fock interactions. The many-body energy dispersion relation, anisotropic Fermi velocity renormalization and…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 H. Rostami , Reza Asgari

We discuss the electronic properties of graphene and graphene nanoribbons including "pseudo-Rashba" spin-orbit coupling. After summarizing the bulk properties, we first analyze the scattering behavior close to an infinite mass and zigzag…

Mesoscale and Nanoscale Physics · Physics 2009-11-03 Tobias Stauber , John Schliemann

We present self-consistent calculations of electron transport in graphene nanoconstrictions within the Hartree approximation. We consider suspended armchair ribbons with V-shaped constrictions having perfect armchair or zigzag edges as well…

Mesoscale and Nanoscale Physics · Physics 2012-06-20 S. Ihnatsenka , G. Kirczenow

The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance,…

Mesoscale and Nanoscale Physics · Physics 2014-01-27 D. Moldovan , M. Ramezani Masir , F. M. Peeters

We study the ground state phase diagram of the extended Hubbard model in a half-filled 5/7 skewed ladder, which is topologically equivalent to a \{112\} grain boundary in graphene and related systems. Using the mean-field method, we…

Strongly Correlated Electrons · Physics 2025-07-15 Sishir Jana , Dayasindhu Dey , Manoranjan Kumar , S. Ramasesha , Rajamani Raghunathan

Using the tight-binding model with long-range Coulomb interactions between electrons, we study some of the electronic properties of graphene. The Coulomb interactions are treated with the renormalized-ring-diagram approximation. By…

Strongly Correlated Electrons · Physics 2011-11-09 Xin-Zhong Yan , C. S. Ting