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Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We…

Materials Science · Physics 2015-05-19 Bhagawan Sahu , Hongki Min , Sanjay K. Banerjee

Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…

Materials Science · Physics 2009-11-13 Bhagawan Sahu , Hongki Min , Allan. H. MacDonald , Sanjay K. Banerjee

A theoretical study of the magnetoelectronic properties of zigzag and armchair bilayer graphene nanoribbons (BGNs) is presented. Using the recursive Green's function method, we study the band structure of BGNs in uniform perpendicular…

Mesoscale and Nanoscale Physics · Physics 2009-07-13 Hengyi Xu , T. Heinzel , I. V. Zozoulenko

We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…

Mesoscale and Nanoscale Physics · Physics 2011-08-05 Zhen Wah Tan , Jian-Sheng Wang , Chee Kwan Gan

Zigzag graphene nanoribbons can have magnetic ground states with ferromagnetic, antiferromagnetic, or canted configurations, depending on carrier density. We show that an electric field directed across the ribbon alters the magnetic state,…

Mesoscale and Nanoscale Physics · Physics 2010-12-21 J. Jung , A. H. Macdonald

Using the non-equilibrium Green's functions formalism in a tight binding model, the spin-dependent transport in armchair graphene nanoribbon (GNR) structures controlled by a ferromagnetic gate is investigated. Beyond the oscillatory…

Mesoscale and Nanoscale Physics · Physics 2013-06-11 V. Hung Nguyen , V. Nam Do , A. Bournel , V. Lien Nguyen , P. Dollfus

Quantum confinement and interference often generate exotic properties in nanostructures. One recent highlight is the experimental indication of a magnetic phase transition in zigzag-edged graphene nanoribbons at the critical ribbon width of…

Mesoscale and Nanoscale Physics · Physics 2017-07-14 Wen-Chao Chen , Yuan Zhou , Shun-Li Yu , Wei-Guo Yin , Chang-De Gong

We will present brief overview on the electronic and transport properties of graphene nanoribbons focusing on the effect of edge shapes and impurity scattering. The low-energy electronic states of graphene have two non-equivalent massless…

Mesoscale and Nanoscale Physics · Physics 2009-09-30 Katsunori Wakabayashi , Yositake Takane , Masayuki Yamamoto , Manfred Sigrist

Zigzag edges of neutral armchair-oriented Graphene Nano-Ribbons show states strongly localized at those edges. They behave as free radicals that can capture electrons during processing, increasing ribbon's stability. Thus, charging and its…

Mesoscale and Nanoscale Physics · Physics 2019-07-26 E. Louis , E. San-Fabian , G. Chiappe , J. A. Verges

The characteristics of energy band spectrum of armchair graphene nanoribbons in presence of line defect are analyzed within a simple non-interacting tight-binding framework. In metallic nanoribbons an energy gap may or may not appear in the…

Mesoscale and Nanoscale Physics · Physics 2013-07-19 Paramita Dutta , Santanu K. Maiti , S. N. Karmakar

We study the effects of uniaxial strains on the transport properties of the graphene nanoribbons(GNRs) connected with two metallic leads in heterojunctions, using the transfer matrix method. Two typical GNRs with zigzag and armchair…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Jing Wang , Guiping Zhang , Fei Ye , Xiaoqun Wang

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

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

Due to the weak spin-orbit interaction and the peculiar relativistic dispersion in graphene, there are exciting proposals to build spin qubits in graphene nanoribbons with armchair boundaries. However, the mutual interactions between…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Hsiu-Hau Lin , Toshiya Hikihara , Horng-Tay Jeng , Bor-Luen Huang , Chung-Yu Mou , Xiao Hu

In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…

Computational Physics · Physics 2021-03-11 Mahnoosh Rostami , Isa Ahmadi , Farhad Khoeini

Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Young-Woo Son , Marvin L. Cohen , Steven G. Louie

The electronic properties of graphene zig-zag nanoribbons with electrostatic potentials along the edges are investigated. Using the Dirac-fermion approach, we calculate the energy spectrum of an infinitely long nanoribbon of finite width…

Mesoscale and Nanoscale Physics · Physics 2011-04-01 W. Apel , G. Pal , L. Schweitzer

Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…

Mesoscale and Nanoscale Physics · Physics 2008-08-12 M. Topsakal , E. Akturk , H. Sevincli , S. Ciraci

Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: ribbons with high aspect ratio are prone to bend. The effects…

Mesoscale and Nanoscale Physics · Physics 2012-05-18 Pekka Koskinen

We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of…

Mesoscale and Nanoscale Physics · Physics 2015-09-30 D. A. Bahamon , Zenan Qi , Harold S. Park , Vitor M. Pereira , David K. Campbell
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