相关论文: Metallic Graphene Nanodisks

Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are…

Tailor-made graphene nanostructures can exhibit symmetry-protected topological boundary states that host localized spin-$1/2$ moments. However, one frequently observes charge transfer on coinage metal substrates, which results in spinless…

Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen…

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…

The edge physics of graphene based systems is well known to be highly sensitive to the atomic structure at the boundary, with localized zero mode edge states found only on the zigzag type termination of the lattice. Here we demonstrate that…

We investigate the electronic band structure of an undoped graphene armchair nanoribbon. We demonstrate that such nanoribbon always has a gap in its electronic spectrum. Indeed, even in the situations where simple single-electron…

Systematic tight-binding investigations of the electronic spectra (as a function of the magnetic field) are presented for trigonal graphene nanoflakes with reconstructed zigzag edges, where a succession of pentagons and heptagons, that is…

We present a functional renormalization group (fRG) treatment of trigonal graphene nanodiscs and composites thereof, modeled by finite-size Hubbard-like Hamiltonians with honeycomb lattice structure. At half filling, the noninteracting…

Graphene plasmons have advantages over noble metal plasmons, such as high tunability and low loss. However, for graphene nanostructures smaller than 10 nm, little is known about their plasmons or whether a regular plasmonic behavior exists,…

Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…

On the basis of first principles calculations, we report energy estimated to cut a graphene sheet into nanoribbons of armchair and zigzag configurations. Our calculations show that the energy required to cut a graphene sheet into zigzag…

We investigate quantum transport properties of triangular graphene flakes with zigzag edges by using first principles calculations. Triangular graphene flakes have large magnetic moments which vary with the number of hydrogen atoms…

One of severe limits of graphene nanoribbons (GNRs) in future applications is that zigzag GNRs (ZGNRs) are gapless, so cannot be used in field effect transistors (FETs). In this paper, using tight-binding approach and first principles…

In neutral graphene dots the Fermi level coincides with the Dirac points. We have investigated in the presence of a magnetic field several unusual properties of single electron states near the Fermi level of such a rectangular-shaped…

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…

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…

Electronic states at the ends of a narrow armchair nanoribbon give rise to a pair of non-locally entangled spins. We propose two experiments to probe these magnetic states, based on magnetometry and tunneling spectroscopy, in which…

Atomically precise graphene nanoribbons (GNRs) have emerged as promising candidates for nanoelectronic applications due to their widely tunable energy band gaps resulting from lateral quantum confinement and edge effects. Here we report on…

Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…

Using ab-initio methods we calculate thermoelectric and spin thermoelectric properties of silicene nanoribbons with bare, mono-hydrogenated and di-hydrogenated edges. Asymmetric structures, in which one edge is either bare or…