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The electronic and optical properties of graphene monoxide, a new type of semiconductor materials, are first theoretically studied based on density functional theory. Electronic calculations show that the band gap is 0.952 eV which indicate…
In this work, we investigate the adsorption of a single cobalt atom (Co) on graphene by means of the complete active space self-consistent field approach, additionally corrected by the second-order perturbation theory. The local structure…
We determine the optical properties of gated bilayer graphene quantum dots with trigonal warping (TW) of single-particle energy spectra. The lateral structure of metallic gates confines electrons and holes in a quantum dot (QD)…
Electro-optical response of a current-carrying monolayer graphene is studied theoretically. Our calculation takes into account full (diagonal and non-diagonal) conductivity tensor obtained from a particle-conserving out-of-equilibrium…
We theoretically study the effect of electron-electron interactions in one-dimensional partially mixed helical states. These helical states can be realized at the edges of two-dimensional topological insulators with partially broken…
By using first principles calculations we report a chemical doping induced gap in graphene. The structural and electronic properties of CrO$_3$ interacting with graphene layer are calculated using ab initio methods based on the density…
In a quantizing magnetic field, the chiral two-dimensional electron gas in Landau level $N=0$ of bilayer graphene goes through a series of phase transitions at integer filling factors $\nu \in \left[ -3,3\right] $ when the strength of an…
The normal state conductivity of a system of interacting large polarons is calculated within the Random Phase approximation and some numerical results are presented. The behaviour of the optical absorption as a function of the charge…
Two-dimensional materials constitute an exciting platform for nonlinear optics with large nonlinearities that are tunable by gating. Hence, gate-tunable harmonic generation and intensity-dependent refraction have been observed in e.g.…
Direct, tunable coupling between individually assembled graphene layers is a next step towards designer two-dimensional (2D) crystal systems, with relevance for fundamental studies and technological applications. Here we describe the…
Atomistic electronic structure calculations are performed to study the coherent inter-dot couplings of the electronic states in a single InGaAs quantum dot molecule. The experimentally observed excitonic spectrum [12] is quantitatively…
We report first-principles GW-Bethe Salpeter Equation and Quantum Monte Carlo calculations of the optical and electronic properties of molecular and crystalline rubrene (C$_{42}$H$_{28}$). Many-body effects dominate the optical spectrum and…
This work presents a systematic review of the feature-rich essential properties in graphene-related systems using the first-principles method. The geometric and electronic properties are greatly diversified by the number of layers, the…
The optical response and the ground state of graphene and graphene-like systems are determined self-consistently. Deriving equations of motion for the basic variables, graphene Bloch equations are introduced and combined with a variational…
The pH dependence of emission from graphene oxide is believed to be due to the protonation of surface functional groups. In this study we use transient absorption spectroscopy to study the sub-picosecond charge dynamics in graphene oxide…
The computational research that will be presented compares the coherent states of multiple layer graphene versus the coherent states of lithium ions diffused within this multilayer graphene. Unlike the prevailing research on graphene…
Experimental investigation of hydrodynamics in electron fluids is a highly topical research area that emerged during the last few years. A recent measurement of the optical conductivity in graphene [P. Gallagher et.al, Science 364, 158…
The formation of image-potential states at the interface between a graphene layer and a metal surface is studied by means of model calculations. An analytical one-dimensional model-potential for the combined system is constructed and used…
The particle-hole excitation spectrum for doped graphene is calculated from the dynamical polarizability. We study the zero and finite magnetic field cases and compare them to the standard two-dimensional electron gas. The effects of…
A review work is done for electronic and optical properties of graphene nanoribbons in magnetic, electric, composite, and modulated fields. Effects due to the lateral confinement, curvature, stacking, non-uniform subsystems and hybrid…