Related papers: Electronic conduction in copper-graphene composite…

First principle band calculations based on local versions of density functional theory (DFT), together with results from nearly free-electron models, can describe many typical but unusual properties of the high-$T_C$ copper oxides. The…

We have performed a thorough computational study to assess the accuracy of density functional theory (DFT) methods in describing the interactions of CO2 with model alkali-earth-metal (AEM, Ca and Li) decorated carbon structures, namely…

We have investigated the quantum capacitance ($C_Q$) in functionalized graphene, modified with ad-atoms from different groups in the periodic table. Changes in the electronic band structure of graphene upon functionalization and…

In an ideal graphene sheet charge carriers behave as two-dimensional (2D) Dirac fermions governed by the quantum mechanics of massless relativistic particles. This has been confirmed by the discovery of a half-integer quantum Hall effect in…

When interacting two-dimensional electrons are placed in a large perpendicular magnetic field, to minimize their energy, they capture an even number of flux quanta and create new particles called composite fermions (CFs). These complex…

The recent discovery of unconventional surface state pairs, which give rise to Fermi arcs and spin textures, in antiferromagnetically ordered NdBi raised the interest in rare-earth monopnictides. Several scenarios of antiferromagnetic order…

In the presence of axial magnetic fields that can be realized in deliberately buckled monolayer graphene, quasi-relativistic Dirac fermions may find themselves in a variety of broken symmetry phases even for weak interactions. Through a…

The reflectivity of low energy electrons from graphene on copper substrates is studied both experimentally and theoretically. Well-known oscillations in the reflectivity of electrons with energies 0 - 8 eV above the vacuum level are…

We consider the problem of electron transport along a one-dimensional disordered multiple-scattering conductor, and study the electron density for all the electronic levels. A model is proposed for the reduced density matrix of the system…

We investigate the conductivity of doped graphene in the semiclassical Boltzmann limit, as well as the conductivity minimum within the self-consistent transport theory. Using the hard-disk model for a two-dimensional distribution of…

We present transport measurements on quantum dots of sizes 45, 60 and 80 nm etched with an Ar/O2-plasma into a single graphene sheet, allowing a size comparison avoiding effects from different graphene flakes. The transport gaps and…

We report a first principles study of spin-transport under finite bias through a graphene-ferromagnet (FM) interface, where FM=Co(111), Ni(111). The use of Co and Ni electrodes achieves spin efficiencies reaching 80% and 60%, respectively.…

We consider the electronic structure near vacancies in the half-filled honeycomb lattice. It is shown that vacancies induce the formation of localized states. When particle-hole symmetry is broken, localized states become resonances close…

In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate compounds containing a ferrocene moiety which is connected to i) thiol anchor groups on both…

We consider the electric conductivity in normal metals in presence of a strong magnetic field. It is assumed here that the Fermi surface of a metal has rather complicated form such that different types of quasiclassical electron…

Disordered Fermi-Dirac distributions are used to model, within a straightforward and essentially phenomenological Boltzmann equation approach, the electron/hole transport across graphene puddles. We establish, with striking experimental…

This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…

Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to…

We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends…

We present a theoretical study using density functional calculations of the structural, electronic and magnetic properties of 3d transition metal, noble metal and Zn atoms interacting with carbon monovacancies in graphene. We pay special…