Related papers: Magnetic nanographite
By means of pseudopotential calculations based on density functional theory (DFT) we studied the effect of hydrogenation on electronic properties of armchair single-wall carbon nanotubes. The calculations demonstrate strong preference for…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
The geometric, electronic and magnetic properties of strained graphene nanoribbons were investigated using spin polarized calculations within the framework of density functional theory. Cases of compressive stress along the longer axis of a…
Graphene - a monolayer of carbon atoms densely packed into a hexagonal lattice - has one of the strongest possible atomic bonds and can be viewed as a robust atomic-scale scaffold, to which other chemical species can be attached without…
The topological phases of graphene with spin-orbit coupling, an exchange field, and a staggered-sublattice potential determine the properties of the edge states of the zigzag nanoribbon. In the presence of the Hubbard interaction, the…
Graphene has many advantageous properties, but its lack of an electronic band gap makes this two dimensional material impractical for many nanoelectronic applications, for example field effect transistors. This problem can be circumvented…
As a possible way of modifying the intrinsic properties of graphene we study the doping of graphene by embedded boron clusters with density functional theory. Cluster doping is technologically relevant as the cluster implantation technique…
Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…
The magnetoconductance of graphene nanoribbons with rough zigzag and armchair edges is studied by numerical simulations. nanoribbons with sufficiently small bulk disorder show a pronounced magnetoconductance minimum at cyclotron radii close…
Magnetic order emerging in otherwise non-magnetic materials as carbon is a paradigmatic example of a novel type of s-p electron magnetism predicted to be of exceptional high-temperature stability. It has been demonstrated that atomic scale…
A recent experimental study showed that an induced folded flap of graphene can spontaneously drive itself its tearing and peeling off a substrate, thus producing long, micrometer sized, regular trapezoidal-shaped folded graphene…
Carbon nanostructures with zigzag edges exhibit unique properties with exciting potential applications. Such nanostructures are generally synthesized under vacuum because their zigzag edges are unstable under ambient conditions: a barrier…
Defects change essentially not only electronic but also chemical properties of graphene being centers of its chemical activity. Their functionalization is a way to modify electronic and crystal structure of graphene which may be important…
We examine the electronic structure of recently fabricated in-plane heterojunctions of zigzag graphene nanoribbons embedded in hexagonal boron nitride. We focus on hitherto unexplored interface configurations in which both edges of the…
We study the edge magnetization of bilayer graphene ribbons with zigzag edges. The presence of flat edge-state bands at the Fermi energy of undoped bilayer, which gives rise to a strong peak in the density of states, makes bilayer ribbons…
It is now possible to produce graphene nanoribbons (GNRs) with atomically defined widths. GNRs offer many opportunities for electronic devices and composites, if it is possible to establish the link between edge structure and…
Catalytic hydrogenation of graphite has recently attracted renewed attention, as a route for nano-patterning of graphene and to produce graphene nano-ribbons. These reports show that metallic nanoparticles etch surface layers of graphite,…
We present a x-ray dichroism study of graphite surfaces that addresses the origin and magnitude of ferromagnetism in metal-free carbon. We find that, in addition to carbon $\pi$ states, also hydrogen-mediated electronic states exhibit a net…
Relativistic massless charged particles in a two-dimensional conductor can be guided by a one-dimensional electrostatic potential, in an analogous manner to light guided by an optical fiber. We use a carbon nanotube to generate such a…
We investigate the electronic structure of carbon nanotubes functionalized by adsorbates anchored with single C-C covalent bonds. We find that, despite the particular adsorbate, a spin moment with a universal value of 1.0 $\mu_B$ per…