Related papers: Closed clusters approach to graphene
We investigate the effect of different edge types on the statistical properties of both the energy spectrum of closed graphene billiards and the conductance of open graphene cavities in the semiclassical limit. To this end, we use the…
Coulomb blockade is observed in a graphene nanoribbon device with a top gate. When two pn junctions are formed via the back gate and the local top gate, electrons are confined between the pn junctions which act as the barriers. When no pn…
We present a simple group theory explanation of the fact that the energy bands merge in the corners of the Brillouin zone for graphene and for two particular cases of Kagome lattice for arbitrary tight--binding Hamiltonian. We connect the…
Opening up a band gap of the graphene and finding a suitable substrate are two challenges for constituting the nano-electronic equipment. A new two-dimensional layered crystal g-C2N (Nat. Commun. 2015, 6, 1--7) with novel electronic and…
The structure stability and electronic properties of edge carboxylated hexagonal and triangular graphene quantum dots are investigated by using density functional theory. The calculated binding energies show that the hexagonal clusters with…
We report the exact solution of spectral problem for a graphene sheet framed by two armchair- and two zigzag-shaped boundaries. The solution is found for the $\pi$ electron Hamiltonian and gives, in particular, a closed analytic expression…
A block-correlated coupled cluster (BCCC) method based on the generalized valence bond (GVB) wave function (GVB-BCCC in short) is proposed and implemented at the ab initio level, which represents an attractive multireference electronic…
We compare the classification of the electron bands in graphene, obtained by group theory algebra in the framework of tight-binding model (TBM), with that calculated in the density-functional theory (DFT) framework. Identification in the…
Depth profiling of graphene with high-resolution ion beam analysis is a practical method for analysis of monolayer thicknesses of graphene. Not only is the energy resolution sufficient to resolve graphene from underlying SiC, but by use of…
Recently cycloarene has been experimentally obtained in a self-assembled structure, forming graphene-like monoatomic layered systems. Here, we establish the bandgap engineering/prediction in cycloarene assemblies within a combination of…
In this chapter, semi-analytical models for the calculation of the quantum capacitance of both monolayer and bilayer graphene and its nanoribbons, are presented. Since electron-hole puddles are experimental facts in all graphene samples,…
Moir\'e superlattices in graphene supported on various substrates have opened a new avenue to engineer graphene's electronic properties. Yet, the exact crystallographic structure on which their band structure depends remains highly debated.…
In this paper we exploit the technique used in \cite{A}-\cite{5b} to deal with delta interactions in a rigorous way in a curved spacetime represented by a cosmic string along the $z$ axis. This mathematical machinery is applied in order to…
Twisted bilayer graphene (TBLG) has emerged as an exciting new material with tunable electronic properties ranging from superconductivity to correlated insulating phases. But current methods of fabrication and identification of TBLG are…
We present a theoretical study of the structural and electronic properties of graphene monolayer functionalized with boron and nitrogen atoms substituting carbon atoms. Our study is based on the ab initio calculations in the framework of…
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…
Motivated by the recent photochlorination experiment [B. Li et al., ACS Nano 5, 5957 (2011)], we study theoretically the interaction of chlorine with graphene. In previous theoretical studies, covalent binding between chlorine and carbon…
The electronic properties of graphene zig-zag nanoribbons with electrostatic potentials along the edges are investigated. Using the Dirac-fermion approach, we calculate the energy spectrum of an infinitely long nanoribbon of finite width…
We study the binding of chlorine atoms to carbon nanotubes and graphene at a Stone-Wales defect and to the sidewalls of pristine nanotubes. We show using ab initio thermodynamics that if the environment is chlorine-rich enough, the…
We study the electronic states of graphene in piecewise constant potentials using the continuum Dirac equation appropriate at low energies, and a transfer matrix method. For superlattice potentials, we identify patterns of induced Dirac…