相关论文: Electronic and optical properties in graphane
We study theoretically the single-electron triangular zigzag graphene quantum dot in three typical in-plane electric fields. The far-infrared absorption spectra of the dot are calculated by the tight-binding method and then the optical…
In this paper we study the effect of absorption peak correlation in finite length carbon nanotubes and graphene nanoribbons. It is shown, in the orthogonal {\pi}-orbital tight-binding model with the nearest neighbor approximation, that if…
The electronic properties of graphene are unique and are attracting increased attention to this novel 2-dimensional system. Its photonic properties are not less impressive. For example, this single atomic layer absorbs through direct…
We have systematically investigated the effect of oxidation on the structural and electronic properties of graphene based on first-principles calculations. Energetically favorable atomic configurations and building blocks are identified,…
The chapter generalizes results on influence of uniaxial strain and adsorption on the electron states and charge transport or localization in graphene with different configurations of imperfections (point defects): resonant (neutral)…
We study numerically the optical properties of low-buckled silicene and AB-stacked bilayer graphene quantum dots subjected to an external electric field, which is normal to their surface. Within the tight-binding model, the optical…
We present calculations of the optical absorption and electro-absorption spectra of graphene nanoribbons (GNRs) using a $\pi-$electron approach, incorporating long-range Coulomb interactions within the Pariser-Parr-Pople (PPP) model…
The electronic properties and optical excitations are investigated in the geometry- and field-modulated bilayer graphene systems, respectively, by using the tight-binding model and Kubo formula. The stacking symmetry of bilayer graphene can…
We analyze resonances in the double photoionization of a variety of aromatic hydrocarbons. The resonances reflect the breakup of quasi-bound electron pairs. The basic premise of this paper is that there is a direct connection between the…
Effects of interaction of graphene with electron donor and acceptor molecules have been investigated by employing Raman spectroscopy. The G band softens progressively with the increasing concentration of tetrathiafulvalene (TTF) which is an…
Understanding the wave transport and localisation is a major goal in the study of lattices of different nature. In general, inhibiting the energy transport on a perfectly periodic and disorder-free system is challenging, however, some…
We report on the effect of sp3 hybridized carbon atoms in acene derivatives adsorbed on metal surfaces, namely decoupling the molecules from the supporting substrates. In particular, we have used a Ag(100) substrate and hydrogenated…
Starting from a three dimensional Hamiltonian, we study the optical properties of ultra-thin topological insulator slabs for which the coupling between Dirac fermions on opposite surfaces results in two degenerated gapped hyperbolic bands.…
A first-principles study on the quasiparticles energy and optical absorption spectrum of fluorographene is presented by employing the GW + Bethe-Salpeter Equation (BSE) method with many-electron effects included. The calculated band gap is…
We have investigated by means of first principles calculations the structural and electronic properties of hydrogenated graphene structures with distinct grain boundary defects. Our total energy results reveal that the adsorption of a…
An electro-absorption optical modulator concept based upon a dual-graphene layer is presented. The device consists of a silicon-on-insulator waveguide upon which two graphene layers reside, separated by a thin insulating region. The lower…
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)…
This study examines electrostatic screening effects in graphene using tight binding calculations based on the Binding energy and Bond Charge model and a modified version of it. The results indicate that the modified BBC potential decays in…
We determine the band structure of graphene under strain using density functional calculations. The ab-initio band strucure is then used to extract the best fit to the tight-binding hopping parameters used in a recent microscopic model of…
The low-frequency magneto-optical absorption spectra of bilayer Bernal graphene are studied within the tight-binding model and gradient approximation. The interlayer interactions strongly affect the electronic properties of the Landau…