相关论文: Feature-Rich Electronic Properties in Graphene Rip…
Density functional theory calculations are used to investigate the electronic structures of localized states at reconstructed armchair graphene edges. We consider graphene nanoribbons with two different edge types and obtain the energy band…
Chiral graphene nanoribbons are extremely interesting structures due to their low bandgaps and potential development of spin-polarized edge states. Here, we study their band structure on low work function silver surfaces and assess the…
In this article, we study zigzag graphene nanoribbons with edges reconstructed with Stone-Wales defects, by means of an empirical (first-neighbor) tight-binding method, with parameters determined by ab-initio calculations of very narrow…
After the discovery of graphene and its many fascinating properties, there has been a growing interest for the study of "artificial graphenes". These are totally different and novel systems which bear exciting similarities with graphene.…
According to the tight-binding approximation, we investigate the electronic structures of graphene ribbons with zigzag shaped edges (ZGRs) and armchair shaped edges (AGRs) drawn by the tensile force, and obtain the analytic relations…
Motivated by recent experiments and a theoretical analysis of the gap equation for the propagator of Dirac quasiparticles, we assume that the physics underlying the recently observed removal of sublattice and spin degeneracies in graphene…
Properties of bulk and boundaries of materials can, in general, be quite different, both for topological and non-topological reasons. One of the simplest boundary problems to pose is the tight-binding problem of noninteracting electrons on…
Graphene, a honeycomb lattice of carbon atoms ruled by tight-binding interaction, exhibits extraordinary electronic properties due to the presence of Dirac cones within its band structure. These intriguing singularities have naturally…
We combine density-functional theory and the nonequilibrium Green's function method to study the thermal conductance of graphene nanoribbons with armchair and zigzag edges. Zigzag ribbons have higher thermal conductance than armchair…
Among many remarkable qualities of graphene, its electronic properties attract particular interest due to a massless chiral character of charge carriers, which leads to such unusual phenomena as metallic conductivity in the limit of no…
We study the electronic properties of electrons in flat and curved zigzag graphene ribbons using a tight-binding model within the Slater Koster approximation. We find that curvature dramatically enhances the action of spin orbit effects in…
We review all symmetry-allowed spin-singlet and spin-triplet superconducting (SC) order parameters in graphene ($s$-wave, $d$-wave, $p$-wave, and $f$-wave) generated by generic onsite, nearest-neighbor (NN), and next-to-nearest-neighbor…
We study the electronic structure of finite armchair graphene nanoribbons using density-functional theory and the Hubbard model, concentrating on the states localized at the zigzag termini. We show that the energy gaps between end-localized…
The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different…
We propose a unique way to control both bandgap and the magnetic properties of nanoscale graphene, which might prove highly beneficial for application in nanoelectronic and spintronic devices. We have shown that chemical doping by nitrogen…
Based on first-principles calculations, electronic properties of edge-functionalized zigzag graphene nanoribbons (ZGNRs) on SiO2 substrate are presented. Metallic or semiconducting properties of ZGNRs are revealed due to various…
The geometric, electronic and magnetic properties of strained graphene nanoribbons were investigated using spin polarized calculations within the framework of density functional theory. Cases of compressive stress along the longer axis of a…
We present first-principles calculations of quantum transport in chemically doped graphene nanoribbons with a width of up to 4 nm. The presence of boron and nitrogen impurities is shown to yield resonant backscattering, whose features are…
Graphene is a nonmagnetic semimetal and cannot be directly used as electronic or spintronic devices. We demonstrate that graphene quantum dots (GQDs) can exhibit strong edge magnetism and tunable energy gaps due to the presence of localized…
Thermoelectric properties of Graphene Nanoribbons doped by magnetic impurities Fe and Co are carried out in room temperature. We report on a study of the band structure dependent properties such as electrical conductivity, charge of…