相关论文: Interplay between edge states and simple bulk defe…

Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…

We analyze the density of state (DOS) and a non-magnetic impurity effect in electron-doped cuprates starting from two different scenarios: the $d_{x^{2}-y^{2}}$-wave superconductivity coexisting with antiferromagnetic spin density wave…

We analyze the electronic properties of bilayer graphene with Bernal stacking and a low concentration of adatoms. Assuming that the host bilayer lies on top of a substrate, we consider the case where impurities are adsorbed only on the…

We study the origin of interface states in carbon nanotube intramolecular junctions between achiral tubes. By applying the Born-von Karman boundary condition to an interface between armchair- and zigzag-terminated graphene layers, we are…

We investigate spin transport in diffusive graphene nanoribbons with both clean and rough zigzag edges, and long-range potential fluctuations. The long-range fields along the ribbon edges cause the local doping to come close to the charge…

The indirect exchange interaction is one of the key factors in determining the overall alignment of magnetic impurities embedded in metallic host materials. In this work we examine the range of this interaction in magnetically-doped…

Realizing magnetism in graphene/carbon nanostructures is a decade-long challenge. The magnetic edge state and half metallicity in zigzag graphene nanoribbons are particularly promising [Y.-W. Son, et al., Nature 444, 347 (2006)]. However,…

We numerically study the effect of the edge states on the conductance and thermopower in zigzag phosphorene nanoribbons (ZPNRs) based on the tight-binding model and the scattering-matrix method. It is interesting to find that the band…

We present an elaborate and systematic study of the conductance properties of a zigzag bilayer graphene nanoribbon modeled by a Kane-Mele (KM) Hamiltonian. The interplay of the Rashba and the intrinsic spin-orbit couplings with the edge…

Random fluctuations of the shot-noise power in disordered graphene nanoribbons are studied. In particular, we calculate the distribution of the shot noise of nanoribbons with zigzag and armchair edge terminations. We show that the shot…

Based on first-principles density-functional theory calculations, we present a comparative study of the elec- tronic structures of ultranarrow zigzag graphene nanoribbons (ZGNRs) embedded in hexagonal boron nitride (BN) sheet and fully…

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…

First principles density-functional theory calculations were performed to investigate quantum confinement and edge effects on the electronic properties of zigzag green phosphorene nanoribbons (ZGPNRs) with edge chemical species including H,…

We present numerical studies of conduction in graphene nanoribbons with reconstructed edges based on the standard tight-binding model of the graphene and the extended Huckel model of the reconstructed defects. We performed atomic geometry…

We study the low energy spin excitations of zigzag graphene nanoribbons of varying width. We find their energy dispersion at small wave vector to be dominated by antiferromagnetic correlations between the ribbon's edges, in accrodance with…

We present a microscopic theory for interacting graphene armchair nanoribbon quantum dots. Long range interaction processes are responsible for Coulomb blockade and spin-charge separation. Short range ones, arising from the underlying…

We consider an effect of weak impurities on electronic properties of graphene within the functional renormalization-group approach. The energy dependences of the electronic self-energy and density of states near the neutrality point are…

We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms…

We have carried out an ab initio study of the structural, electronic and magnetic properties of zigzag graphene nanoribbons on Cu(111), Ag(111) and Au(111). Both, H-free and H-terminated nanoribbons are considered revealing that the…

We investigate the impact of strained nanobubbles on the conductance characteristics of graphene nanoribbons using a combined molecular dynamics - tight-binding simulation scheme. We describe in detail how the conductance, density of…