Related papers: Exploring the graphene edges with coherent electro…
We investigate theoretically the electronic structure of graphene and boron nitride (BN) lateral heterostructures, which were fabricated in recent experiments. The first-principles density functional calculation demonstrates that a huge…
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…
We have developed a microscopic theory for the generation and detection of coherent phonons in armchair and zigzag carbon nanoribbons using an extended tight-binding model for the electronic states and a valence force field model for the…
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…
We present a first-principles calculation of the optical properties of armchair-edged graphene nanoribbons (AGNRs) with many-electron effects included. The reduced dimensionality of the AGNRs gives rise to an enhanced electron-hole binding…
The search of new means of generating and controlling topological states of matter is at the front of many joint efforts, including bandgap engineering by doping and light-induced topological states. Most of our understading, however, is…
In the presence of the Hubbard interaction, graphene zigzag nanoribbons have spontaneous edge magnetism with anti-parallel configuration, whose amplitude can be tuned by a transversal electric field. As the electric field increases or…
It is shown that a graphene ribbon, a ballistic strip of carbon monolayer, may serve as a quantum wire whose electronic properties can be continuously and reversibly controlled by an externally applied transverse voltage. The electron bands…
We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…
How to form carbon nanoscrolls with the non-uniform curvatures is worthy of a detailed investigation. The first-principles method is suitable in studying the combined effects due to the finite-size confinement, the edge-dependent…
Using first principles pseudopotential density functional theory calculations, we find that terminating zigzag graphene nanoribbons (ZGNR) with monovalent alkali atoms at a reduced concentration has a dramatic impact on their properties. In…
The one-dimensional side gate based on graphene edges shows a significant capability of reducing the channel length of field-effect transistors, further increasing the integration density of semiconductor devices. The nano-scale electric…
The paper discusses the influence of the external in-plane electric and magnetic field on the ground state spin phase diagram of selected monolayer graphene nanostructures. The calculations are performed for triangular graphene nanoflakes…
Very recently, the standard description of electrons in strained graphene has been completed by the explicit inclusion of the lattice deformation. Here, the effect of these lattice corrections is taken into account to find the mechanical…
Explicit expressions of the band spectrum near the neutrality point for armchair and zigzag graphene ribbons and carbon nanotubes were derived based on a tight-binding macromolecule model of graphene. The obtained dispersion relations are…
Hyperfine interactions, magnetic interactions between the spins of electrons and nuclei, in graphene and related carbon nanostructures are studied. By using a combination of accurate first principles calculations on graphene fragments and…
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…
Electrons in graphene can travel for several microns without scattering at low temperatures, and their motion becomes ballistic, following classical trajectories. When a magnetic field B is applied perpendicular to the plane, electrons…
We have determined the equilibrium shape of graphene domains grown on Ni(111) via carbon segregation at 925{\deg}C. In situ, spatially-resolved electron diffraction measurements were used to determine the crystallographic orientation of the…
Graphene ripples possess peculiar essential properties owing to the strong chemical bonds, as an investigation using first principle calculations clearly revealed. Various charge distributions, bond lengths, energy bands, and densities of…