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A great efficacy of molecular quantum chemistry applied to basic graphene problems has been recently demonstrated by the authors when studying the formation of peculiar composites between carbon nanotubes and graphene as well as considering…
We investigate from first principles the electronic and optical properties of edge-modulated armchair graphene nanoribbons, including both quasi-particle corrections and excitonic effects. Exploiting the oscillating behavior of the ribbon…
We present an electronic transport experiment in graphene where both classical and quantum mechanical charge detector back-action on a quantum dot are investigated. The device consists of two stacked graphene quantum dots separated by a…
A scalable tight-binding model is applied for large-scale quantum transport calculations in clean graphene subject to electrostatic superlattice potentials, including two types of graphene superlattices: moir\'e patterns due to the stacking…
Graphene electrodes provide a suitable alternative to metal contacts in molecular conduction nanojunctions. Here, we propose to use graphene electrodes as a platform for effective photon assisted tunneling through molecular conduction…
Vortices in the simplest superconducting state of graphene contain very low energy excitations, whose existence is connected to an index theorem that applies strictly to an approximate form of the relevant Bogoliubov-deGennes equations.…
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerical solution to the Hubbard model as the reference system. Both nearest-neighbour and up to third nearest-neighbour hoppings are considered…
We investigate theoretically the magnetic levels and optical properties of zigzag- and armchair-edged hexagonal graphene quantum dots (GQDs) utilizing the tight-binding method. A new bound edge state at zero energy appears for the zigzag…
Encapsulating graphene in hexagonal Boron Nitride has several advantages: the highest mobilities reported to date are achieved in this way, and precise nanostructuring of graphene becomes feasible through the protective hBN layers.…
Laterally localized electronic states are identified on a single layer of graphene on ruthenium. The individual states are separated by 3 nm and comprise regions of about 90 carbon atoms. This constitutes a quantum dot array, evidenced by…
The electronic and transport properties of hybrid armchair zigzag nanostructures including U-shaped graphene nanoribbons and patterned nanopores structured graphene were studied using combination of density functional theory and…
Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…
An approach which allows to include the corrections from non-orthogonality of electron states in contacts and quantum dots is developed. Comparison of the energy levels and charge distributions of electrons in 1D quantum dot (QD) in…
Using the tight-binding approximation and the nonequilibrium Green's function approach, we investigate the coherent spin-dependent transport in planar magnetic junctions consisting of two ferromagnetic (FM) electrodes separated by a…
First we discuss the definition of the instantaneous current in interacting particle systems, in particular in mass-energy systems and we point out its role in the derivation of the hydrodynamics. Later we present some geometrical…
A theory is developed for calculating vertical tunneling current between two sheets of bilayer graphene separated by a thin, insulating layer of hexagonal boron nitride, neglecting many-body effects. Results are presented using physical…
Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of…
Point-contacts (PC) offer a simple way to create high current densities, 10^9 A/cm^2 and beyond, without substantial Joule heating. We have shown recently (Nano Letters, 7 (2007) 927) that conductivity of nanosized PCs between a normal and…
One of the main features of superfluids is the presence of topological defects with quantised circulation. These objects are known as quantum vortices and exhibit a hydrodynamic behaviour. Nowadays, particles are the main experimental tool…
The structural similarity between hexagonal boron nitride (h-BN) and graphene nanoribbons allows for the formation of heterojunctions with small chain stress. The combination of the insulation nature of the former and the quasi-metallic…