Related papers: Electric field effect in boron and nitrogen doped …
Thermoelectric power of a material, typically governed by its band structure and carrier density, can be varied by chemical doping that is often restricted by solubility of the dopant. Materials showing large thermoelectric power are useful…
We theoretically argue that, in doped AB bilayer graphene, the electron-electron coupling can give rise to the spontaneous formation of fractional metal phases. These states, being generalizations of a more common half-metal, have a Fermi…
We investigate the dependence of the optical conductivity of bilayer graphene (BLG) on the intra- and inter-layer interactions using the most complete model to date. We show that the next nearest-neighbor intralayer coupling introduces new…
Penta-graphene (PG) is a carbon allotrope that has recently attracted the attention of the materials science community due to its interesting properties for renewable energy applications. Although unstable in its pure form, it has been…
Doping is one of the most prominent techniques to alter properties of a given material. Herein, the influence of the electron- and hole-doping on the selected superconducting properties of graphene are considered. In details, the…
We study how the Fermi energy of a graphene monolayer separated from a conducting substrate by a dielectric spacer depends on the properties of the substrate and on an applied voltage. An analytical model is developed that describes the…
The electrical properties of graphene are known to be modified by chemical species that interact with it. We investigate the effect of doping of graphene-based devices by toluene (C6H5CH3). We show that this effect has a complicated…
We develop a first-principles theoretical approach to doping in field-effect devices. The method allows for calculation of the electronic structure as well as complete structural relaxation in field-effect configuration using…
We investigate the orbital diamagnetism of a weak-doped bilayer graphene (BLG) in spatially smoothly varying magnetic field and obtain the general analytic expression of the orbital susceptibility of BLG, with finite wave number and Fermi…
Making devices with graphene necessarily involves making contacts with metals. We use density functional theory to study how graphene is doped by adsorption on metal substrates and find that weak bonding on Al, Ag, Cu, Au and Pt, while…
Controlled modulation of electronic band structure in two-dimensional (2D) materials via doping is crucial for devices fabrication. For instance doped graphene has been envisaged for various applications like sensors, super-capacitors,…
We calculate the static polarization of AAA-stacked trilayer graphene (TLG) and study its screening properties within the random phase approximation (RPA) in all undoped, doped and biased regimes. We find that the static polarization of…
The doping of lighter non-metals like boron and nitrogen into graphene represents a promising advancement in the field of nano-electronic devices, particularly in the development of field-effect transistors (FETs). These doped…
We study the energy gap opening in the electronic spectrum of graphene bilayers caused by asym- metric doping. Both substitutional impurities (boron acceptors and nitrogen donors) and adsorbed potassium donors are considered. The gap…
Graphene monolayer is a material with zero band gap, because of which its applications in optoelectronics are limited. The question arises, can we modify the optoelectronic properties of graphene by doping it with other atoms? Synthesis of…
A conversion of AA- to AB-stacking bilayer graphene (BLG) due to interlayer interaction is demonstrated. Two types of interlayer interactions, an attractive and a repulsive, between the Boron and Nitrogen dopant atoms in BLG are found. In…
Rotated graphene bilayers form an exotic class of nanomaterials with fascinating electronic properties governed by the rotation angle theta. For large rotation angles, the electron eigenstates are restricted to one layer and the bilayer…
Effect of electric field on the band structures of graphene/BN and BN/BN bilayers is investigated within the framework of density functional theory. A relatively large degree of modulation is predicted for the graphene/BN bilayer. The…
Near-interfacial oxide traps and chemical impurities on the graphene surface or at the graphene-dielectric interface can be a source of intentional or unintentional doping of graphene sheet. The efficiency of such chemical doping can vary…
Ab-initio calculations based on density functional theory (DFT) have been performed to study the optical properties of pure graphene and have been compared to that of individual boron (B), nitrogen (N) and BN co-doped graphene sheet. The…