Related papers: Electronic Properties of Boron and Nitrogen doped …
Highly-doped graphene samples show the conductance reduced and the shot-noise power enhanced compared to standard ballistic systems in two-dimensional electron gas. These features can be understood within a model assuming incoherent…
We investigate the electronic, thermal, and optical characteristics of graphene like SiC$_x$ structure using model calculations based on density functional theory. The change in the energy bandgap can be tuned by the Si atomic…
We study the effect of band gap on the ground-state properties of Dirac electrons in a doped graphene within the random phase approximation at zero temperature. Band gap dependence of the exchange, correlation and ground-state energies and…
Graphene, renowned for its exceptional electronic and optical properties as a robust 2D material, traditionally lacks electronic correlation effects. Proximity coupling offers a promising method to endow quantum materials with novel…
The implementation of graphene in semiconducting technology requires the precise knowledge about the graphene-semiconductor interface. In our work the structure and electronic properties of the graphene/$n$-Ge(110) interface are…
Spin-polarized first-principles calculations have been performed to tune the electronic and optical properties of graphene (G) and boron-nitride (BN) quantum dots (QDs) through molecular charge-transfer using Tetracyanoquinodimethane (TCNQ)…
Quasi-free standing graphene (QFG) obtained by the intercalation of a hydrogen layer between a SiC surface and the graphene is recognized as an excellent candidate for the development of graphene based technology. In addition, the recent…
Electronic structure calculations indicate that the Sr2FeSbO6 double perovskite has a flat-band set just above the Fermi level that includes contributions from ordinary sub-bands with weak kinetic electron hopping plus a flat sub-band that…
Doped graphene sheets are pseudochiral two-dimensional Fermi liquids with abnormal electron-electron interaction physics. We address graphene's Fermi liquid properties quantitatively using a microscopic random-phase-approximation theory and…
Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…
Electrons in isolated graphene layers are a two-dimensional gas of massless Dirac Fermions. In realistic devices, however, the electronic properties are modified by elastic deformations, interlayer coupling and substrate interaction. Here…
Sulfur and nitrogen dual doped graphene have been extensively investigated in the field of oxygen reduction reaction, supercapacitors and batteries, but their magnetic and absorption performance have not been explored. Besides, the effects…
We performed detailed studies of the current-voltage characteristics in graphene/MoS2/metal vertical field-effect transistors. Owing to its low density of states, the Fermi level in graphene is very sensitive to its carrier density and thus…
We report density functional calculations of the electronic structure and Fermi surface of the BaFe$_2$As$_2$ and LiFeAs phases including doping via the virtual crystal approximation. The results show that contrary to a rigid band picture,…
The effect of substitution atoms on the energy spectrum and the electrical conductivity of graphene was investigated in a Lifshitz one-electron tight-binding model. It is established that the ordering of impurity atoms results in a gap in…
Energy barrier of oxygen molecule dissociation on carbon nanotube or graphene with different types of nitrogen doping is investigated using density functional theory. The results show that the energy barriers can be reduced efficiently by…
We propose a class of graphene nanoribbons showing strong intrinsic ferromagnetic behavior due to their asymmetry. Such ribbons are based on a zig-zag edged backbone surmounted by a periodic, triangular notched region of variable size. The…
Based on the calculation and analysis of local Green functions of impurity atoms of low concentration in a two-dimensional graphene lattice, the conditions for the formation and characteristics of local discrete levels with energies lying…
We present calculations of electronic quantum transport in graphene nanoribbons with adsorbed H, F, OH and O, based on a tight binding model derived from extended Huckel theory. The relaxed atomic geometries of the adsorbates and graphene…
Numerically solving the semiconductor Bloch equations within a phenomenological relaxation time approximation, we extract both the linear and nonlinear optical conductivities of doped graphene and gapped graphene under excitation by a laser…