Related papers: Electronic structure of disordered graphene with G…
Using the recursive Green's function method, we study the problem of electron transport in a disordered single-layer graphene sheet. The conductivity is of order $e^2/h$ and its dependence on the carrier density has a scaling form that is…
We present electronic structure calculations of few-layer epitaxial graphene nanoribbons on SiC(0001). Trough an atomistic description of the graphene layers and the substrate within the extended H\"{u}ckel Theory and real/momentum space…
The boundary effects affecting the Hamiltonian for the nanocone with curvatureinduced spin orbit coupling were considered and the corresponding electronic structure was calculated. These boundary effects include the spin orbit coupling, the…
We develop a theoretical description of intravalley scattering of quasiparticles in graphene from multiple short-range scatterers of size much greater than the carbon-carbon bond length. Our theory provides a method to rapidly calculate the…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
A new theoretical framework for the nonequilibrium Green's function (NEGF) scheme is presented to account for the discrete nature of impurities doped in semiconductor nanostructures. The short-range part of impurity potential is included as…
By introducing multipe-site correlation functions, we propose a hierarchical Green function approach, and apply it to study the characteristic properties of a 2D square lattice Hubbard model by solving the equation of motions of a…
We present and review an efficient method to calculate the retarded Green's function in multi-terminal nanostructures; which is needed in order to calculate the conductance through the system and the local particle densities within it. The…
We study the influence of different edge types on the electronic density of states of graphene nanostructures. To this end we develop an exact expansion for the single particle Green's function of ballistic graphene structures in terms of…
The electron transport between two zigzag graphene nanoribbons (ZGNRs) connected by carbon atomic chains has been investigated by the nonequilibrium Green's function method combined with the density functional theory. The symmetry of the…
We propose a fast and versatile algorithm to calculate local and transport properties such as conductance, shot noise, local density of state or local currents in mesoscopic quantum systems. Within the non equilibrium Green function…
Using the tight-binding model with long-range Coulomb interactions between electrons, we study some of the electronic properties of graphene. The Coulomb interactions are treated with the renormalized-ring-diagram approximation. By…
We study the low-energy electronic transport across periodic extended defects in graphene. In the continuum low-energy limit, such defects act as infinitesimally thin stripes separating two regions where Dirac Hamiltonian governs the…
Using density functional theory (DFT), Hartree-Fock, exact diagonalization, and numerical renormalization group methods we study the electronic structure of diluted hydrogen atoms chemisorbed on graphene. A comparison between DFT and…
We present a computational study on the topology, energetics and structural deformations for a large number of experimentally observed defect configurations in graphene. We find that both the number of lost hexagonal carbon rings and…
Motivated by recent scanning tunneling experiments on zigzag-terminated graphene this paper investigates an interplay of evanescent and extended quasiparticle states in the local density of states (LDOS) near a zigzag edge using the Green's…
An accurate simulation of Green's function and self-energy function of non-interacting electrons in disordered graphenes are performed. Fundamental physical quantities such as the elastic relaxation time {\tau}e, the phase velocity vp, and…
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based…
We present an atomic-resolution observation and analysis of graphene constrictions and ribbons with sub-nanometer width. Graphene membranes are studied by imaging side spherical aberration-corrected transmission electron microscopy at 80…
A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…