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We study by density functional and large scale tight-binding transport calculations the electronic structure, magnetism and transport properties of the recently proposed graphene ribbons with edges rolled to form nanotubes. Edges with…

Mesoscale and Nanoscale Physics · Physics 2015-06-11 M. A. Akhukov , Shengjun Yuan , A. Fasolino , M. I. Katsnelson

Mobius graphene nanoribbons have only one edge topologically. How the magnetic structures, previously associated with the two edges of zigzag-edged flat nanoribbons or cyclic nanorings, would change for their Mobius counterparts is an…

Chemical Physics · Physics 2008-05-18 De-en Jiang , Sheng Dai

Electronic structures of the zigzag bilayer graphite nanoribbons(Z-BGNR) with various ribbon width $N$ are studied within the tight binding approximation. Neglecting the inter-layer hopping amplitude $\gamma_4$, which is an order of…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Jun-Won Rhim , Kyungsun Moon

The edge reconstruction of zigzag graphene nanoribbons to a stable line of alternatively fused seven and five membered rings with hydrogen passivation has been studied within density functional theory with both localized and extended basis…

Materials Science · Physics 2009-11-17 Sudipta Dutta , Swapan K. Pati

Using a model Hamiltonian approach including electron-electron interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is…

Mesoscale and Nanoscale Physics · Physics 2011-09-13 Oleg V. Yazyev , Rodrigo B. Capaz , Steven G. Louie

The independent predictions of edge ferromagnetism and the Quantum Spin Hall phase in graphene have inspired the quest of other two dimensional honeycomb systems, such as silicene, germanene, stanene, iridiates, and organometallic lattices,…

Mesoscale and Nanoscale Physics · Physics 2014-07-28 J. L. Lado , J. Fernández-Rossier

We study the electronic structure of chiral and achiral graphene nanoribbons with symmetric edges, including curvature and spin-orbit effects. Curved ribbons show spin-split bands, whereas flat ribbons present spin-degenerate bands. We show…

Mesoscale and Nanoscale Physics · Physics 2013-06-07 Hernán Santos , M. C. Muñoz , M. P. López-Sancho , Leonor Chico

The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…

Materials Science · Physics 2021-04-05 Nguyen Tien Cuong

Graphene nanoribbons with zigzag terminated edges have a magnetic ground state characterized by edge ferromagnetism and antiferromagnetic inter edge coupling. This broken symmetry state is degenerate in the spin orientation and we show…

Mesoscale and Nanoscale Physics · Physics 2018-01-09 M. P. López-Sancho , Luis Brey

We study the properties of flat-bands that appear in a heterostructure composed of strands of different widths of graphene armchair nanoribbons. One of the flat-bands is reminiscent of the one that appears in pristine armchair nanoribbons…

Mesoscale and Nanoscale Physics · Physics 2022-02-18 P. A. Almeida , L. S. Sousa , Tome M. Schmidt , G. B. Martins

Topological design of pi-electrons in zigzag-edged graphene nanoribbons (ZGNRs) leads to a wealth of magnetic quantum phenomena and exotic quantum phases. Symmetric ZGNRs typically exhibit antiferromagnetically coupled spin-ordered edge…

Hydrogenated graphene, graphane, is studied on oxygen-terminated silicon dioxide substrate using ab initio calculations. A structure with hydrogenation only on one side of the graphene layer is found stable and its hydrogen configurations…

Mesoscale and Nanoscale Physics · Physics 2011-07-13 M. Ijäs , P. Havu , A. Harju , P. Pasanen

Altermagnets feature unconventional magnetism due to their momentum-dependent spin splitting purely driven by magnetic order, for which a variety of transition-metal-based d-wave altermagnets have been proposed. However, carbon-based…

Materials Science · Physics 2026-04-22 Cuiju Yu , Jose L. Lado

We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short…

Mesoscale and Nanoscale Physics · Physics 2011-06-13 Hélène Feldner , Zi Yang Meng , Thomas C. Lang , Fakher F. Assaad , Stefan Wessel , Andreas Honecker

We study the edge magnetization of bilayer graphene ribbons with zigzag edges. The presence of flat edge-state bands at the Fermi energy of undoped bilayer, which gives rise to a strong peak in the density of states, makes bilayer ribbons…

Mesoscale and Nanoscale Physics · Physics 2008-07-22 Eduardo V. Castro , N. M. R. Peres , J. M. B. Lopes dos Santos

It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons.…

Mesoscale and Nanoscale Physics · Physics 2014-11-18 S. Krompiewski

We consider the electronic and magnetic properties of nanographite ribbon with zigzag edges under the periodic or Moebius boundary conditions. The zigzag nano-graphite ribbons possess edge localized states at the Fermi level which cause a…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Katsunori Wakabayashi , Kikuo Harigaya

Edge structure plays an essential role in the nature of electronic states in graphene nanoribbons. By focusing on the interplay between this feature and non-trivial topology in the domain of the Dirac confinement problem, this paper…

Mesoscale and Nanoscale Physics · Physics 2017-07-24 J. F. O de Souza , Claudio Furtado

Nanographite systems, where graphene sheets of the orders of the nanometer size are stacked, show novel magnetic properties, such as, spin-glass like behaviors and the change of ESR line widths in the course of gas adsorptions. We…

Condensed Matter · Physics 2007-05-23 Kikuo Harigaya

We examine the electronic structure of recently fabricated in-plane heterojunctions of zigzag graphene nanoribbons embedded in hexagonal boron nitride. We focus on hitherto unexplored interface configurations in which both edges of the…

Mesoscale and Nanoscale Physics · Physics 2024-06-03 Michele Pizzochero , Nikita V. Tepliakov , Johannes Lischner , Arash A. Mostofi , Efthimios Kaxiras