Related papers: Biased doped silicene as a source for advanced ele…
Formation of localized impurity levels within the band gap in bigraphene under applied electric field is considered and the conditions for their collectivization at finite impurity concentration are established. It is shown that a…
We report first-principles results on the electronic structure of various silicene structures. For planar and simply buckled silicenes, we confirm their zero-gap nature and show a significant renormalization of their Fermi velocity by…
We study the problem of impurities and mid-gap states in a biased graphene bilayer. We show that the properties of the bound states, such as localization lengths and binding energies, can be controlled externally by an electric field…
The buckled structure of silicene leads to the possibility of new kinds of line defects that separate regions with reversed buckled phases. In the present work we show that these new grain boundaries have very low formation energies, one…
Considering the interband correlation, we present a generalized multiple-scattering approach of Green's function to investigate the effects of electron-impurity scattering on the density of states in silicene. The reduction of energy gaps…
In this review we highlight recent theoretical and experimental work on sublattice asymmetric doping of impurities in graphene, with a focus on substitutional Nitrogen dopants. It is well known that one current limitation of graphene in…
We report calculations of the electronic structure of silicene and the stability of its weakly buckled honeycomb lattice in an external electric field oriented perpendicular to the monolayer of Si atoms. We find that the electric field…
Silicene has been synthesized recently, with experimental evidence showing possible superconductivity in the doped case. The noncoplanar low-buckled structure of this material inspires us to study the pairing symmetry of the doped system…
We propose a unique way to control both bandgap and the magnetic properties of nanoscale graphene, which might prove highly beneficial for application in nanoelectronic and spintronic devices. We have shown that chemical doping by nitrogen…
We study the geometric and electronic structures of silicene monolayer using density functional theory based calculations. The electronic structures of silicene show that it is a semi-metal and the charge carriers in silicene behave like…
Based on first-principles calculations we showed that superlattices of periodically repeated junctions of hydrogen saturated silicon nanowire segments having different lengths and diameters form multiple quantum well structures. The band…
Recent experimental findings and theoretical predictions suggest that nitrogen-doped CVD-grown graphene may give rise to electronic band gaps due to impurity distributions which favour segregation on a single sublattice. Here we demonstrate…
Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable…
We investigate the effect of lattice disorder and local correlation effects in finite and periodic silicene structures caused by carbon doping using first-principles calculations. For both finite and periodic silicene structures, the…
It is demonstrated that in a two--band 2D system the resonance state is manifested close to the energy of the Dirac point in the electron spectrum for the sufficiently large impurity perturbation. With increasing the impurity concentration,…
Obtaining conductance spectra for a concentration of disordered impurities distributed over a nanoscale device with sensing capabilities is a well-defined problem. However, to do this inversely, i.e., extracting information about the…
A specific structure of doped graphene with substituted silicon impurity is introduced and ab. initio density-functional approach is applied for energy band structure calculation of proposed structure. Using the band structure calculation…
We theoretically study the effects of electron-electron interaction in twisted bilayer graphene in applied transverse dc electric field. When the twist angle is not very small, the electronic spectrum of the bilayer consists of four Dirac…
Interactions between stacked two-dimensional (2D) atomic crystals can radically change their properties, leading to essentially new materials in terms of the electronic structure. Here we show that monolayers placed on an atomically flat…
Unique electronic band structure of graphene with its semi-metallic features near the charge neutrality point is sensitive to impurity effects. Using the Lifshitz and Anderson impurity models, we study in detail the disorder induced…