Related papers: Magnetism and structure at a vacancy in graphene
We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate many-body techniques since the widely used density-functional…
We analyze the effect of twists on the electronic structure of configurations of infinite stacks of graphene layers. We focus on three different cases: an infinite stack where each layer is rotated with respect to the previous one by a…
Resonant scattering at the atomic absorbates in graphene was investigated recently in relation with the transport and gap opening problems. Attaching an impurity atom to graphene is believed to lead to the creation of unusual zero energy…
In a recent letter [Phys. Rev. Lett. 105 (2010) 036804] the unoccupied electronic states of single layers of graphene on ruthenium are investigated. Here we comment on the interpretation, which deviates in four points from [J. Phys.:…
We describe a peculiar fine structure acquired by the in-plane optical phonon at the Gamma-point in graphene when it is brought into resonance with one of the inter-Landau-level transitions in this material. The effect is most pronounced…
Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…
Using calculations on defective graphene from first principles, we herein consider the dependence of the properties of the monovacancy of graphene under isotropic strain, with a particular focus on spin moments. At zero strain, the vacancy…
We study theoretically the physical properties of a magnetic impurity in graphene. Within the Anderson model for a very strong Coulomb interaction on the impurity, we start from the Slave-Boson method and introduce a topological picture…
We study the ground state properties of an ABA-stacked trilayer graphene. The low energy band structure can be described by a combination of both a linear and a quadratic particle-hole symmetric dispersions, reminiscent of monolayer- and…
Ferroelectricity (Valasek, J. Phys. Rev. 1921, 17, 475) - a spontaneous formation of electric polarisation - is a solid state phenomenon, usually, associated with ionic compounds or complex materials. Here we show that, atypically for…
First principles calculations are used to establish that the electronic structure of graphene ribbons with zig-zag edges is unstable with respect to magnetic polarisation of the edge states. The magnetic interaction between edge states is…
The electromagnetic mode spectrum of single-layer graphene subjected to a quantizing magnetic field is computed taking into account intraband and interband contributions to the magneto-optical conductivity. We find that a sequence of weakly…
The electronic structure and magnetic properties of the graphene/Fe/Ni(111) system were investigated via combination of the density functional theory calculations and electron-spectroscopy methods. This system was prepared via intercalation…
Unlike in ordinary metals, in graphene, phonon structure can be seen in the quasiparticle electronic density of states, because the latter varies on the scale of the phonon energy. In a magnetic field, quantization into Landau levels…
Density functional modeling of atomic structure and calculation of electronic structure of one-side one-sublattice functionalized graphene (graphone) are performed for hydrogen and fluorine adatoms. Shown that using of fluorine for…
We present a theoretical study of the electronic structure of modulated graphene in the presence of a perpendicular magnetic field. The density of states and the bandwidth for the Dirac electrons in this system are determined. The…
Single layers of carbon dubbed "graphenes", from which graphite is built, have attracted broad interest in the scientific community because of recent exciting experimental results. Graphene is interesting from a fundamental research…
The electronic properties of a particular class of domain walls in gapped graphene are investigated. We show that they can support mid-gap states which are localized in the vicinity of the domain wall and propagate along its length. With a…
The detailed analysis of the problem of possible magnetic behavior of the carbon-based structures was fulfilled to elucidate and resolve (at least partially) some unclear issues. It was the purpose of the present paper to look somewhat more…
Graphene is locally two-dimensional but not flat. Nanoscale ripples appear in suspended samples and rolling-up often occurs when boundaries are not fixed. We address this variety of graphene geometries by classifying all ground-state…