相关论文: Edge effects in Bilayer Graphene Nanoribbons
Stacking two-dimensional layered materials such as graphene and transitional metal dichalcogenides with nonzero interlayer twist angles has recently become attractive because of the emergence of novel physical properties. Stacking of…
We study the effect of vertical electric-field (E-field) on the electronic properties of the multilayer armchair graphene nanoribbon (aGNR). Under E-field, the band structure of a bilayer aGNR undergoes interesting transformations such as…
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…
The magnetoelectronic properties of quasi-one-dimensional zigzag graphene nanoribbons are investigated by using the Peierls tight-binding model. Quasi-Landau levels (QLLs), dispersionless Landau subbands within a certain region of k-space,…
We study by density functional and large scale tight-binding transport calculations the electronic structure, magnetism and transport properties of the recently proposed graphene ribbons with edges rolled to form nanotubes. Edges with…
We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…
We review field theoretical studies dedicated to understanding the effects of electron-electron interaction in graphene, which is characterized by gapless bands, strong electron-electron interactions, and emerging Lorentz invariance deep in…
Bilayer graphene (BLG) with a tunable bandgap appears interesting as an alternative to graphene for practical applications, thus its transport properties are being actively pursued. Using density functional theory and perturbation analysis,…
We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…
In this Letter, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed…
We investigate bilayers of nanoporous graphene (NPG), laterally bonded carbon nanoribbons, and graphene. The electronic and transport properties are explored as a function of the interlayer twist angle using an atomistic tight-binding model…
The paper presents a computational study of the ground-state magnetic phases of a selected bilayer graphene nanoflake in external electric field and magnetic field. The electric field has parallel and perpendicular component while the…
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…
We investigated the emergence of spin spiral ground state induced by the electric field in the bilayer zigzag graphene nanoribbons for the ferromagnetic edge states. To do that, we employed the generalized Bloch theorem to create flat…
Graphene nanoribbons with perfect edges are predicted to exhibit interesting electronic and spintronic properties, notably quantum-confined bandgaps and magnetic edge states. However, graphene nanoribbons produced by lithography have, to…
We show by first-principles calculations that the electronic properties of zigzag graphene nanoribbons (Z-GNRs) adsorbed on Si(001) substrate strongly depend on ribbon width and adsorption orientation. Only narrow Z-GNRs with even rows of…
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…
We perform first-principles calculations based on density functional theory to study quasi one-dimensional edge-passivated (with hydrogen) zigzag graphene nanoribbons (ZGNRs) of various widths with chemical dopants, boron and nitrogen,…
We investigate the edge-state magnetism of graphene nanoribbons using projective quantum Monte Carlo simulations and a self-consistent mean-field approximation of the Hubbard model. The static magnetic correlations are found to be short…
The electronic and transport properties of an extended linear defect embedded in a zigzag nanoribbon of realistic width are studied, within a tight binding model approach. Our results suggest that such defect profoundly modify the…