Related papers: Electronic conduction in copper-graphene composite…
We study with ARPES the electronic structure of CoO2 slabs, stacked with rock-salt (RS) layers exhibiting a different (misfit) periodicity. Fermi Surfaces (FS) in phases with different doping and/or periodicities reveal the influence of the…
We investigate quantum transport in a normal/superconductor graphene heterostructure, including the possibility of an anisotropic pairing potential in the superconducting region. We find that under certain circumstances, the conductance…
We study the electronic and structural properties of substitutional impurities of graphenelike nanoporous materials C$_2$N, $tg$-, and $hg$-C$_3$N$_4$ by means of density functional theory calculations. We consider four types of impurities;…
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…
We propose a minimal tight-binding model for the electronic interface layer of the LaAlO$_3$/SrTiO$_3$ heterostructure with oxygen vacancies. In this model, the effective carriers are subject to oxygen vacancy induced magnetic impurities.…
We calculate the carrier density dependent ground state properties of graphene in the presence of random charged impurities in the substrate taking into account disorder and interaction effects non-perturbatively on an equal footing in a…
The Hohenberg-Kohn theorem of density functional theory (DFT) for the case of electrons interacting with an external magnetic field (that couples to spin only) is examined in more detail than previously. A unexpected generalization is…
We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to…
We consider some general aspects of dependence of magneto-conductivity on a magnetic field in metals having complicated Fermi surfaces. As it is well known, a nontrivial behavior of conductivity in metals in strong magnetic fields is…
We discuss the possibility of superconductivity in graphene taking into account both electron-phonon and electron-electron Coulomb interactions. The analysis is carried out assuming that the Fermi energy is far away from the Dirac points,…
We study the electronic structure of graphene in the presence of either sevenfolds or eightfolds by using a gauge field-theory model. The graphene sheet with topological defects is considered as a negative cone surface with infinite…
We use voxel deep neural networks to predict energy densities and functional derivatives of electron kinetic energies for the Thomas-Fermi model and Kohn-Sham density functional theory calculations. We show that the ground-state electron…
We investigate the electronic and magnetic properties of graphene channels ($2$--$4$~nm wide) embedded within fluorographene, focusing on two distinct interfaces: the fully fluorinated $\alpha$ interface and the half-fluorinated $\beta$…
In our theoretical study in which we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate branched compounds containing Ru or Os metal complexes in two branches, which due to their…
We report the electronic properties of two-dimensional systems made of graphene nanoribbons which are patterned with ad-atoms in two separated regions. Due to the extra electronic confinement induced by the presence of the impurities, we…
Electrons mediate many of the interactions between atoms in a solid. Their propagation in a material determines its thermal, electrical, optical, magnetic and transport properties. Therefore, the constant energy contours characterizing the…
When an electron is confined to a triangular atomic thick layer of graphene [1-5] with zig-zag edges, its energy spectrum collapses to a shell of degenerate states at the Fermi level (Dirac point) [6-9]. The degeneracy is proportional to…
We present electron transport measurements on lithographically defined and etched graphene nanoconstrictions with different aspect ratios including different lengths (L) and widths (W). A roughly length-independent disorder induced…
In this work, we theoretically study the charge order and orbital magnetic properties of a new type of antiferromagnetic kagome metal FeGe. Based on first principles density functional theory (DFT) calculations, we have studied the…
We have carried out first-principles calculations on electronic properties of graphene quantum dots embedded in hexagonal boron nitride monolayer sheets. The calculations with density functional theory show that the band gaps of quantum…