Related papers: Adsorption of Hydrogen in Graphene without Band Ga…
\textit{Holey Graphene} (HG) is a widely used graphene material for the synthesis of high-purity and highly crystalline materials. In this work, we explore the electronic properties of a periodic distribution of lattice holes, demonstrating…
We perform a detailed analysis of electronic polarizability of graphene with different theoretical approaches. From Kubo's linear response formalism, we give a general expression of frequency and wave-vector dependent polarizability within…
The adsorption of an alkali-metal submonolayer on graphene occupying every third hexagon of the honeycomb lattice in a commensurate $(\sqrt{3}\times\sqrt{3})R30^\circ$ arrangement induces an energy gap in the spectrum of graphene. To…
Using ab-initio methods, we show that the uniform deformation either leaves graphene (semi)metallic or opens up a small gap yet only beyond the mechanical breaking point of the graphene, contrary to claims in the literature based on…
Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…
We present calculations of electronic quantum transport in graphene nanoribbons with adsorbed H, F, OH and O, based on a tight binding model derived from extended Huckel theory. The relaxed atomic geometries of the adsorbates and graphene…
A specific structure of doped graphene with substituted silicon impurity is introduced and ab. initio density-functional approach is applied for energy band structure calculation of proposed structure. Using the band structure calculation…
The k.p method is a semi-empirical approach which allows to extrapolate the band structure of materials from the knowledge of a restricted set of parameters evaluated in correspondence of a single point of the reciprocal space. In the first…
Graphene sheets with regular perforations, dubbed as antidot lattices, have theoretically been predicted to have a number of interesting properties. Their recent experimental realization with lattice constants below 100 nanometers stresses…
We show that, if graphene is subjected to the potential from an external superlattice, a band gap develops at the Dirac point provided the superlattice potential has broken inversion symmetry. As a numerical example, we calculate the band…
Epitaxial graphene, grown on SiC(0001) surface, has been widely studied both experimentally and theoretically. It was found that first epitaxial graphene layer in such structures is a buffer layer i.e. there are no characteristic Dirac…
Recent progress in preparing well controlled 2D van der Waals heterojunctions has opened up a new frontier in materials physics. In this paper we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed…
Graphene has demonstrated great promise for future electronics technology as well as fundamental physics applications because of its linear energy-momentum dispersion relations which cross at the Dirac point. However, accessing the physics…
Most popular atomically thin carbon material, called graphene, has got no band gap and this particular property of graphene makes it less useful from the aspect of nanoscale transistor devices. The band gap can be introduced in the graphene…
In this work we study theoretically the electronic properties of a sheet of graphene grown on a periodic heterostructure substrate. We write an effective Dirac equation, which includes a dependence of both the band gap and the Fermi…
The electronic transport properties and band structures for the graphene-based one-dimensional (1D) superlattices with periodic squared potentials are investigated. It is found that a new Dirac point is formed, which is exactly located at…
Gap opening in graphene is usually discussed in terms of a semiconducting-like spectrum, where the appearance of a finite gap at the Dirac point is accompanied by a finite mass for the fermions. In this Letter we propose a gap scenario from…
It has been shown in a recent study [Nguyen et al., Nanotechnol. \textbf{25}, 165201 (2014)] that unstrained/strained graphene junctions are promising candidates to improve the performance of graphene transistors that is usually hindered by…
Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…
The electronic properties of doped bilayer graphene in presence of bottom and top gates have been studied and characterized by means of Density Functional Theory calculations. Varying independently the bottom and top gates it is possible to…