相关论文: Potential barrier of Graphene edges

We investigate how parameters of the model of semi-infinite graphene based on a graphene nanoribbon under periodic boundary conditions affect the accuracy of ab initio calculations of reactions at graphene edges by the example of the first…

The charge distribution induced by external fields in finite stacks of graphene planes, or in semiinfinite graphite is considered. The interlayer electronic hybridization is described by a nearest neighbor hopping term, and the charge…

The edges of graphene and graphene like systems can host localized states with evanescent wave function with properties radically different from those of the Dirac electrons in bulk. This happens in a variety of situations, that are…

In this paper, we study a theoretical method to calculate the conductance across a square barrier potential in monolayer graphene. We have obtained an analytical expression for the transmission coefficient across a potential barrier for…

Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…

The electronic structure of the zig-zag bilayer strip is analyzed. The electronic spectra of the bilayer strip is computed. The dependence of the edge state band flatness on the bilayer width is found. The density of states at the Fermi…

We show that the work function of exfoliated single layer graphene can be modified by irradiation with swift (E_{kin}=92 MeV) heavy ions under glancing angles of incidence. Upon ion impact individual surface tracks are created in graphene…

Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place…

Using first-principles calculations, we explore the possibility of functionalized graphene as high performance two-dimensional spintronics device. Graphene functionalized with O on one side and H on the other side in the chair conformation…

Theory has predicted rich and very distinct physics for graphene devices with boundaries that follow either the armchair or zigzag crystallographic directions. A prerequisite to disclose this physics in experiment is to be able to produce…

We numerically investigate quantum rings in graphene and find that their electronic properties may be strongly influenced by the geometry, the edge symmetries and the structure of the corners. Energy spectra are calculated for different…

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 investigate the electronic and optical properties of lateral heterostructures made of alternated armchair ribbons of graphene and hexagonal boron nitride. It is known that the gapwidth of these heterostructures can be classified into…

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…

Graphene is attracting vast interest due to its superior electronic and mechanical properties. However, structure and electronic properties of its edge are often neglected, although they are important for nanoscale devices because the edge…

The size-dependent electrical resistivity of single-layer graphene ribbons has been studied experimentally for ribbon widths from 16 nm to 320 nm. The experimental findings are that the resistivity follows a more dramatic trend than that…

Raman imaging on the edges of single layer micromechanical cleavage graphene (MCG) was carried out. The intensity of disorder-induced Raman feature (D band at ~1350 cm-1) was found to be correlated to the edge chirality: it is stronger at…

We perform a systematic {\it ab initio} study of the work function and its uniform strain dependence for graphene and silicene for both tensile and compressive strains. The Poisson ratios associated with armchair and zigzag strains are also…

The effect of vacancies on the robustness of zero-energy edge electronic states in zigzag-type graphene layer is studied at different concentrations and distributions of defects. All calculations are performed by using the Green's function…

Four-terminal resistances, both longitudinal and diagonal, of a locally gated graphene device are measured in the quantum-Hall (QH) regime. In sharp distinction from previous two-terminal studies [J. R. Williams \textit{et al.}, Science…