Related papers: Electronic structure of negatively curved graphene
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…
Graphene and its multilayers have attracted considerable interest owing to the fourfold spin and valley degeneracy of their charge carriers, which enables the formation of a rich variety of broken-symmetry states and raises the prospect of…
Graphene is a famous truly two-dimensional (2D) material, possessing a cone-like energy structure near the Fermi level and treated as a gapless semiconductor. Its unique properties trigger researchers to find applications of it. The gapless…
Based on density functional calculations, optimized structures of graphite oxide are found for various coverage by oxygen and hydroxyl groups, as well as their ratio corresponding to the minimum of total energy. The model proposed describes…
Coal-derived graphene-like material and its addition to FCC copper are investigated using ab initio plane wave density functional theory (DFT). We explore ring disorder in the sp2 carbon, and functional impurities such as oxides (-O), and…
The electronic structure, specific heat, and thermal conductivity of silicon embedded in a monolayer graphene nanosheet are studied using Density Functional Theory. Two different shapes of the substitutional Si doping in the graphene are…
The density of states near zero energy in a graphene due to strong point defects with random positions are computed. Instead of focusing on density of states directly, we analyze eigenfunctions of inverse T-matrix in the unitary limit.…
A novel nanoelectronic device is constructed by graphyne that is robustly connected between graphene electrodes, where graphyne is composed of hexagonal carbon rings and carbon chains. Owing to similarities between the bond lengths and unit…
The configuration of graphene (GE) sheet conforming to the spherical surface substrate is studied through theoretical model and molecular simulations. Two basic configurations are observed: fully conformation and wrinkling. The final…
Despite the enormous interest in the properties of graphene and the potential of graphene nanostructures in electronic applications, the study of quantum confined states in atomically well-defined graphene nanostructures remains an…
The aim of this work is to describe the thermodynamic properties of an electron gas in graphene placed in a constant magnetic field. The electron gas is constituted by $N$ Bloch electrons in the long wavelength approximation. The partition…
The X-ray edge problem of graphene with the Dirac fermion spectrum is studied. At half-filling the linear density of states suppresses the singular response of the Fermi liquid, while away from half-filling the singular features of the…
Graphene antidot lattices constitute a novel class of nano-engineered graphene devices with controllable electronic and optical properties. An antidot lattice consists of a periodic array of holes which causes a band gap to open up around…
We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by…
We study electronic and optical properties of single layer phosphorene quantum dots with various shapes, sizes, and edge types (including disordered edges) subjected to an external electric field normal to the structure plane. Compared to…
An application of quantum size carbon structures--graphenes as electrodes of supercapacitors is studied. A fundamental limit of energy and power density arising from quantum nature of objects due to singularity in graphene density of states…
We study theoretically the physical properties of a magnetic impurity in graphene. Within the Anderson model for a very strong Coulomb interaction on the impurity, we start from the Slave-Boson method and introduce a topological picture…
The Fermi energies of electrons and holes and their densities in different graphene layers (GLs) in the n- and p-regions of the electrically induced n-i-p junctions formed in multiple-GL structures are calculated both numerically and using…
We report the existence of zero energy surface states localized at zigzag edges of bilayer graphene. Working within the tight-binding approximation we derive the analytic solution for the wavefunctions of these peculiar surface states. It…
We study the electronic structure of graphene with a single substitutional vacancy using a combination of the density-functional, tight-binding, and impurity Green's function approaches. Density functional studies are performed with the…