Related papers: Electron interaction, charging and screening in gr…
We discuss electron transport in individual nanometer-scale metallic grains at dilution refrigerator temperatures. In the weak coupling regime, the grains exhibit Coulomb blockade and discrete energy levels. Electron-electron interactions…
Perturbations of the two dimensional carbon lattice of graphene, such as grain boundaries, have significant influence on the charge transport and mechanical properties of this material. Scanning tunneling microscopy measurements presented…
We theoretically analyse the possibility to electrostatically confine electrons in circular quantum dot arrays, impressed on contacted graphene nanoribbons by top gates. Utilising exact numerical techniques, we compute the scattering…
When an electron is confined to a triangular atomic thick layer of graphene [1-5] with zig-zag edges, its energy spectrum collapses to a shell of degenerate states at the Fermi level (Dirac point) [6-9]. The degeneracy is proportional to…
Grain boundaries are commonly observed in carbon nanostructures, but their influence on thermal and electric properties are still not completely understood. Using a combined approach of density functional tight-binding theory and…
We study the effect of sublattice symmetry breaking on the electronic, magnetic and transport properties of two dimensional graphene as well as zigzag terminated one and zero dimensional graphene nanostructures. The systems are described…
We present a quantum analysis of the massless excitations in graphene with a charge impurity. When the effective charge exceeds a certain critical value, the spectrum is quantized and is unbounded from below. The corresponding eigenstates…
Atomically precise graphene nanoribbons (GNRs) have emerged as promising candidates for nanoelectronic applications due to their widely tunable energy band gaps resulting from lateral quantum confinement and edge effects. Here we report on…
We calculate the carrier density dependent ground state properties of graphene in the presence of random charged impurities in the substrate taking into account disorder and interaction effects non-perturbatively on an equal footing in a…
Grain boundaries (GBs), an important constituent of polycrystalline materials, have a wide range of manifestion and significantly affect the properties of materials. Fully understanding the effects of GBs is stalemated due to lack of…
The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…
The unique ultra-relativistic, massless, nature of electron states in two-dimensional extended graphene sheets, brought about by the honeycomb lattice arrangement of carbon atoms in two-dimensions, provides ingress to explorations of…
Finite size armchair graphene nanoribbons (GNR) of different families are theoretically studied using the Hubbard model in both mean-field and GW approximations, including spin correlation effects. It is shown that correlation primarily…
We study the electronic structure and magnetic properties of h-BN triangular clusters embedded in graphene supercells. We find that, depending on the sizes of the clusters and the graphene separation region between them, spin polarization…
Here we analyze the electron transport properties of a device formed of two crossed graphene nanoribbons with zigzag edges (ZGNRs) in a spin state with total magnetization different from zero. While the ground state of ZGNRs has been shown…
The grain boundary (GB) energy is a quantity of fundamental importance for understanding several key properties of graphene. Here we present a comprehensive theoretical and numerical study of the entire space of symmetric and asymmetric…
We investigate the electronic transport properties of copper-graphene composites using a density-functional framework. Conduction in composites by varying the interface distance of a copper/graphene/copper (Cu/G/Cu) interface models was…
We have studied the ground state structure of quantum strips within the local spin-density approximation, for a range of electronic densities between $\sim$ 5$\times10^4$ and 2$\times10^6$ cm$^{-1}$ and several strengths of the lateral…
Effects of the nearest neighbor Coulomb interaction on nanographene ribbons with zigzag edges are investigated using the extended Hubbard model within the unrestricted Hartree-Fock approximation. The nearest Coulomb interaction stabilizes a…
The electronic and transport properties of aluminum-graphene composite materials were investigated using ab initio plane wave density functional theory. The interfacial structure is reported for several configurations. In some cases, the…