Related papers: Metal-terminated Graphene Nanoribbons
Motivated by the very recent fabrication of sub-10-nm-wide semiconducting graphene nanoribbons [X. Li et al., Science 319, 1229 (2008)], whose band gaps extracted from transport measurements were fitted to density functional theory…
Realizing controllable room-temperature ferromagnetism in carbon-based materials is one of recent prospects. The magnetism in graphene nanostructures reported previously is mostly formed near the vacancies, zigzag edges, or impurities by…
The binary intermetallic materials, $M_3$Sn$_2$ ($M$ = 3d transition metal) present a new class of strongly correlated systems that naturally allows for the interplay of magnetism and metallicity. Using first principles calculations we…
Using a tight binding model, we theoretically study the electronic properties of zigzag boron-carbon-nitride (BCN) nanoribbons where the outermost C atoms of zigzag graphene nanoribbons are replaced with B and N atoms. We show that the flat…
By using first-principles calculations, we predict that an in-plane homogenous electrical field can induce half-metallicity in hydrogen-terminated zigzag silicene and germanene nanoribbons (ZSiNRs and ZGeNRs). A dual-gated finite ZSiNR…
By first principle calculations, a dual spin filter effect under finite bias voltages is demonstrated in an antiferromagnetic junction of symmetric zigzag graphene nanoribbon (ZGNR). Unlike conventional spin filter devices using half…
Graphene is the first truly two-dimensional (2D) material, possessing a cone-like energy spectrum near the Fermi energy and treated as a gapless semiconductor. Its unique properties trigger researchers to find more applications of it, such…
Graphene nanoribbons (GNRs), low-dimensional platforms for carbon-based electronics, show the promising perspective to also incorporate spin polarization in their conjugated electron system. However, magnetism in GNRs is generally…
We study the energy spectrum and energy levels of the extended Kane-Mele model with magnetic atoms on their zigzag edges. It is demonstrated that the edges of ferromagnetism or antiferromagnetism are enough to break the time-reversal…
Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail by calculating electronic and magnetic properties of these…
A zigzag edge of a graphene nanoribbon supports localized zero modes, ignoring interactions. Based mainly on mean field arguments and numerical approaches, it has been suggested that interactions can produce a large magnetic moment on the…
The Hydrogen and Fluorine planar armchairs graphene nanoribbons (H and F AGNRs), subjected to twist deformation within fixed periodic boundary conditions, eventually morph to a helical conformations are investigated at few tractable points.…
The interplay between uniaxial strain and charging effects in zigzag graphene nanoribbons (ZGNR) is investigated by using non-equilibrium Green's function formalism. The I-V characteristic curves and especially negative differential…
Graphene nano-flakes (GNFs) are predicted to host spin-polarized metallic edge states, which are envisioned for exploration of spintronics at the nanometer scale. To date, experimental realization of GNFs is only in its infancy because of…
In this comprehensive study, we undertake a thorough theoretical examination of the electronic subband structures within cove-edged zigzag graphene nanoribbons (CZGNRs) using the tight-binding model. These unique nanostructures arise from…
We investigate the finite temperature magnetic order at the edges of hexagonal CrN nanoribbons by using the density-functional theory combined with the density-matrix renormalization group method. Moreover, the spin-dependent transport in…
A theoretical study of the transport properties of zigzag and armchair graphene nanoribbons with a magnetic barrier on top is presented. The magnetic barrier modifies the energy spectrum of the nanoribbons locally, which results in an…
Edge magnetism in zigzag transition metal dichalcogenide nanoribbons is studied using a three-band tight-binding model with local electron-electron interactions. Both mean field theory and the unbiased, numerically exact determinant quantum…
We investigate the influence of strain on the electrical properties of graphene nanoribbons that have potential applications in making sensors and other optoelectronic devices. In particular, we chose pristine armchair graphene nanoribbons…
Two-dimensional Floquet systems consisting of irradiated valley-polarized metal are investigated. For the corresponding static systems, we consider two graphene models of valley-polarized metal with either a staggered sublattice or uniform…