Related papers: Low-energy Electron Reflectivity from Graphene: Fi…
The effect of strain in graphene is usually modeled by a pseudo-magnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance,…
An extraordinary low vacuum barrier height of 2.30 eV has been found on the zigzag-edge of graphene terminated with the secondary amine via the ab initio calculation. This edge structure has a flat band of edge states attached to the gamma…
We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…
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…
Graphene nanoribbons present diverse electronic properties ranging from semiconducting to half-metallic, depending on their geometry, dimensions and chemical composition. Here we present a route to control these properties via externally…
Electrical double layers play a key role in a variety of electrochemical systems. The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, making them suitable for probing of ultrathin electrical double…
We introduce a complete physical model for the single-particle electronic structure of twisted bilayer graphene (tBLG), which incorporates the crucial role of lattice relaxation. Our model, based on $k \cdot p$ perturbation theory, combines…
We report low temperature high magnetic field scanning tunneling microscopy and spectroscopy of graphene flakes on graphite that exhibit the structural and electronic properties of graphene decoupled from the substrate. Pronounced peaks in…
Multilayer graphene (MLG) thin films are deposited on silicon oxide substrates by mechanical exfoliation (or 'scotch-tape method') from Kish graphite. The thickness and number of layers are determined from both Atomic Force Microscopy (AFM)…
The reflectivity properties of graphene with nonzero mass-gap parameter are investigated in the framework of Dirac model using the polarization tensor in (2+1)-dimensional space-time. For this purpose, a more simple explicit representation…
The electronic bands of twisted bilayer graphene (TBLG) with a large-period moir\'e superlattice fracture to form narrow Bloch minibands that are spectrally isolated by forbidden energy gaps from remote dispersive bands. When these gaps are…
Using the GW approximation, we study the electronic structure of the recently synthesized hydrogenated graphene, named graphane. For both conformations, the minimum band gap is found to be direct at the $\Gamma$ point, and it has a value of…
Stacking geometry in multilayer graphene (MLG) provides an interesting degree of freedom to engineer its electronic structure near the Fermi level, wherein the linear bands in single layer graphene could retain or evolve into parabolic or…
Raman spectroscopy of graphene is reviewed from a theoretical perspective. After an introduction of the building blocks (electronic band structure, phonon dispersion, electron-phonon interaction, electron-light coupling), Raman intensities…
We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional perturbation theory together with very accurate Wannier…
Rhombohedral multilayer graphene has recently emerged as a rich platform for studying correlation driven magnetic, topological and superconducting states. While most experimental efforts have focused on devices with N$\leq 9$ layers, the…
With the two-band continuum model, we study the broken inversion and time-reversal symmetry state of electrons with finite-range repulsive interactions in bilayer graphene. With the analytical solution to the mean-field Hamiltonian, we…
The spatial distributions of the valence-electron density and the total energy reliefs for water (or methanol) migration on the free surface of graphene are obtained, by using the electron density functional and ab initio pseudopotential…
We theoretically investigate ultrafast and nonlinear optical properties of graphite thin films based on first-principles time-dependent density functional theory. We first calculate electron dynamics in a unit cell of graphite under a…
We present a simple and fast method for thickness characterization of suspended graphene flakes that is based on transmission electron microscopy (TEM) techniques. For this method, the dynamical theory of electron diffraction (Bloch-wave…