Vertical and In-Plane Electronic Transport of Graphene Nanoribbon/Nanotube Heterostructures.

All-carbon systems have proven to present interesting transport properties and are often used in electronic devices. Motivated by recent resonant responses measured on graphene/fullerene junction, we propose coupled nanoribbons/carbon-nanotube heterostructures for use as charge filters and to allow tuned transport. These hybrid systems are engineered as a four-terminal device, and we explore multiple combinations of source and collector leads. The armchair-edge configuration results in midgap states when the transport is carried through top/bottom terminals. Such states are robust against the lack of perfect order on the tube and are revealed as sharp steps in the characteristic current curves when a bias potential is turned on. The zigzag-edge systems exhibit differential negative resistance, with features determined by the details of the hybrid structures.

Interface effects in hybrid hBN-graphene nanoribbons.

We analyze the electronic properties of a hybrid graphene-BN nanoribbon system, using a Hubbard model Hamiltonian within a mean field approximation. Due to the different electronegativities of the boron and nitrogen atoms, an electric field is induced across the zigzag graphene strip, breaking the spin degeneracy of the electronic band structure. Optimal tight-binding parameters are found from first-principles calculations. Edge potentials are proposed as corrections for the on-site energies, modeling the BN-graphene nanoribbon interfaces. We show that half-metallic responses in the hybrid systems may be driven with the help of an external electric field. We also study the role of defects across the graphene nanoribbon and at the h-BN/graphene interface regions. Modulations on the spin-dependent gaps may be achieved depending on the nature and position of the defect, constituting a way towards spin-gap engineering by means of spatial doping.

The influence of Gaussian strain on sublattice selectivity of impurities in graphene.

Among the different strategies used to induce the opening of a band gap in graphene, one common practice is through chemical doping. While a gap may be opened in this way, disorder-induced scattering is an unwanted side-effect that impacts the electron mobility in the conductive regime of the system. However, this undesirable side effect is known to be minimised if dopants interact asymmetrically with the two sublattices of graphene. In this work we propose that mechanical strain can be used to introduce such a sublattice asymmetry in the doping process of graphene. We argue that a localised out-of-plane deformation applied to a graphene sheet can make one of the graphene sublattices more energetically favourable for impurity adsorption than the other and that this can be controlled by varying the strain parameters. Two complementary modelling schemes are used to describe the electronic structure of the flat and deformed graphene sheets: a tight-binding model and density functional theory. Our results indicate a novel way to select the doping process of graphene through strain engineering.

Symmetries of quantum transport with Rashba spin-orbit: graphene spintronics.

The lack of some spatial symmetries in planar devices with Rashba spin-orbit interactions opens up the possibility of producing spin polarized electrical currents in the absence of external magnetic fields or magnetic impurities. We study how the direction of the spin polarization of the current is related to spatial symmetries of the device. As an example of these relations we study numerically the spin-resolved current in graphene nanoribbons. Different configurations are explored and analyzed to demonstrate that graphene nanoflakes may be used as excellent spintronic devices in an all-electrical setup.

Cone-like graphene nanostructures: electronic and optical properties.

: A theoretical study of electronic and optical properties of graphene nanodisks and nanocones is presented within the framework of a tight-binding scheme. The electronic densities of states and absorption coefficients are calculated for such structures with different sizes and topologies. A discrete position approximation is used to describe the electronic states taking into account the effect of the overlap integral to first order. For small finite systems, both total and local densities of states depend sensitively on the number of atoms and characteristic geometry of the structures. Results for the local densities of charge reveal a finite charge distribution around some atoms at the apices and borders of the cone structures. For structures with more than 5,000 atoms, the contribution to the total density of states near the Fermi level essentially comes from states localized at the edges. For other energies, the average density of states exhibits similar features to the case of a graphene lattice. Results for the absorption spectra of nanocones show a peculiar dependence on the photon polarization in the infrared range for all investigated structures.