Electric field effects in zigzag edged graphene nanoribbons
نویسندگان
چکیده
We investigate the magnetic ordering in zigzag edged graphene nanoribbons under cross-ribbon electric fields by using the Hubbard model within the unrestricted Hatree-Fock approximation. In the absence of applied electric field, the ground state is an “edge-magnetized state” with magnetic moments mainly localized on the edges, where the moments on the two edges are mutually antiparallel. Under electric fields, we find that the band gap near the Fermi level becomes spin dependent. On increasing the strength of the electric field, the biased charge distribution decreases or increases the band gap with respect to the majority spin on each edge. Increasing the strength further, the system becomes half-metalic, and finally the magnetization completely disappears.
منابع مشابه
Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension
Atomistic simulations are performed to study the nonlinear mechanical behavior of graphene nanoribbons under quasistatic uniaxial tension, emphasizing the effects of edge structures (armchair and zigzag, without and with hydrogen passivation) on elastic modulus and fracture strength. The numerical results are analyzed within a theoretical model of thermodynamics, which enables determination of ...
متن کاملEffects of Edge Oxidation on the Structural, Electronic, and Magnetic Properties of Zigzag Boron Nitride Nanoribbons.
The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most energetically stable. When an in-plane external electric field is applied perpendicular to the axis of both hydrogenated and hydroxylated ZBNNRs, a spin-polarize...
متن کاملHeterospin Junctions in Zigzag-Edged Graphene Nanoribbons
We propose a graphene nanoribbon-based heterojunction, where a defect-free interface separates two zigzag graphene nanoribbons prepared in opposite antiferromagnetic spin configurations. This heterospin junction is found to allow the redirecting of low-energy electrons from one edge to the other. The basic scattering mechanisms and their relation to the system’s geometry are investigated throug...
متن کاملElectronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field
Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...
متن کاملSpin-polarized transport through a zigzag-edge graphene flake embedded between two armchair nanoribbons electrodes
We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function’s technique and Landauer formalism. The system considered consists of electrode/ (ZGF)/electrode, in which the electrodes are chosen to be armchair nanoribbons. The study was performed for two types of ele...
متن کامل