相关论文: Adsorption of Hydrogen in Graphene without Band Ga…

Hydrogen adsorption on graphene in commensurate periodic arrangements leads to bandgap opening at the Dirac point and the emergence of dispersionless midgap bands. We study these bandgap effects and their dependence on periodicity for a…

We show that the assumption of a nontrivial zero band gap for a graphene sheet within an effective relativistic field theoretical model description of interacting Dirac electrons on the surface of graphene describes the experimental band…

Graphene lacks an intrinsic band-gap, which limits its use in electronic applications. Here we demonstrate that periodic arrays of topological defects can open and control a band-gap in a predictable manner governed by defect spacing and…

Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by B and N is studied using density functional theory. Our extensive band structure and density of states calculations indicate that upon doping by N (electron…

Graphene is an ideal platform to study many-body effects due to its semimetallic character and the possibility to dope it over a wide range. Here we study the width of graphene's occupied $\pi$-band as a function of doping using…

This paper reviews the theoretical work undertaken using density functional theory (DFT) to explore graphene's interactions with its surroundings. We look at the impact of substrates, gate dielectrics and edge effects on the properties of…

BN domains are easy to form in the basal plane of graphene due to phase separation. With first-principles DFT calculations, it is demonstrated theoretically that the band gap of graphene can be opened effectively around K (or K') points by…

We present a tight binding theory of the Dirac point resonances due to adsorbed atoms and molecules on an infinite 2D graphene sheet based on the standard tight binding model of the graphene p-band electronic structure and the extended…

Intensive research has focused on harnessing the potential of graphene for electronic, optoelectronic, and spintronic devices by generating a bandgap at the Dirac point and enhancing the spin-orbit interaction in the graphene layer.…

We develop a theory of interaction effects in graphene superlattices, where tunable superlattice periodicity can be used as a knob to control the gap at the Dirac point. Applied to graphene on hexa-boron-nitride (G/h-BN), our theory…

The electrical conductivity of suspended graphene has recently been measured for the first time, and found to behave as \sigma ~ \sqrt{|n|} as expected for Dirac quasiparticles at large carrier density. The charge inhomogeneity is strongly…

Much attention has been focused on ways of rendering graphene semiconducting. We study periodically gated graphene in a tight-binding model and find that, contrary to predictions based on the Dirac equation, it is possible to open a band…

We study the effect of band gap on the ground-state properties of Dirac electrons in a doped graphene within the random phase approximation at zero temperature. Band gap dependence of the exchange, correlation and ground-state energies and…

Graphene grown on metal surface, Cu(111), with a boron nitride(BN) buffer layer is studied for the first time. Our first-principles calculations reveal that charge is transferred from the copper substrate to graphene through the BN buffer…

Gap opening at the Dirac point of the single-layer graphene with periodic scalar and vector potentials has been theoretically investigated under the continuum model. The symmetry analysis indicates that the two-fold degeneracy at the Dirac…

We analyze the effect of tensional strain in the electronic structure of graphene. In the absence of electron-electron interactions, within linear elasticity theory, and a tight-binding approach, we observe that strain can generate a bulk…

The recent discovery of methods to isolate graphene, a one-atom-thick layer of crystalline carbon, has raised the possibility of a new class of nano-electronics devices based on the extraordinary electrical transport and unusual physical…

We use density functional theory (DFT) with a recently developed van der Waals density functional (vdW-DF) to study the adsorption of graphene on Al, Cu, Ag, Au, Pt, Pd, Co and Ni(111) surfaces. In constrast to the local density…

Opening a sizable band gap in the zero-gap germanene without heavy loss of carrier mobility is a key issue for its application in nanoelectronic devices such as high-performance field effect transistors (FETs) operating at room temperature.…

We study the optical properties of gapped graphene in presence of a magnetic field. We consider a model based on the Dirac equation, with a gap introduced via a mass term, for which analytical expressions for the diagonal and Hall optical…