Related papers: A first-principles DFT+GW study of spin-filter and…
By combining the electronic structures obtained from first principles calculations with Boltzmann transport theory we have investigated the electronic, magnetic and transport properties of Co$_{2}$MnGe Heusler compound. The density of…
By performing high-throughput first-principles calculations combined with a semiempirical van der Waals dispersion correction, we have screened 74 direct- and 185 indirect-gap two dimensional (2D) nonmagnetic semiconductors from near 1000…
Subwavelength engineering and utilizing phase-change materials with large contrast in their optical properties have become powerful design tools for integrated silicon photonics. Reversible phase-transition of phase-change materials such as…
We derive equations for the quasiclassical Green's functions $\check{g}$ within a simple model of a two-band superconductor with a spin-density-wave (SDW). The elements of the matrix $\check{g}$ are the retarded, advanced, and Keldysh…
We analyze spin density waves (SDWs) in the Hubbard model on a square lattice within the framework of inhomogeneous dynamical mean field theory (iDMFT). Doping the half-filled Hubbard model results in a change of the antiferromagnetic…
We design spin filters for particles with potentially arbitrary spin S (= 1/2, 1, 3/2,....) using a one-dimensional periodic chain of magnetic atoms as a quantum device. Describing the system within a tight-binding formalism we present an…
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…
In semiconductor spintronic devices, the semiconductor is usually lightly doped and nondegenerate, and moderate electric fields can dominate the carrier motion. We recently derived a drift-diffusion equation for spin polarization in the…
We study the ground state properties of the Hubbard model on three-leg triangular cylinders using large-scale density-matrix renormalization group simulations. At half-filling, we identify an intermediate gapless spin liquid phase between a…
We present a first-principles approach to describe magnetic and superconducting systems and the phenomena of competition between these electronic effects. We develop a density functional theory: SpinSCDFT, by extending the Hohenberg-Kohn…
An accurate description of the two-electron density, crucial for magnetic coupling in spin systems, provides in general a major challenge for density functional theory calculations. It affects, e.g., the calculated zero-field splitting…
We study spin transport of holes through stubless or stubbed waveguides modulated periodically by diluted magnetic semiconductor (DMS) sections of width b1 . Injected holes of up (down) spin feel a periodically modulated barrier (well)…
Over the last two decades, the new branch of spintronics, i.e., semiconductor spintronics, has gained more attention because it integrates the characteristics of conventional semiconductors, such as optical bandgap and charge carriers,…
Engineering of magnetic materials for developing better spintronic applications relies on the control of two key parameters: the spin polarization and the Gilbert damping responsible for the spin angular momentum dissipation. Both of them…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
The induction of spin density wave (SDW) and charge density wave (CDW) orderings in the mixed state of high $T_c$ superconductors (HTS) is investigated by using the self-consistent Bogoliubov-de Gennes equations based upon an effective…
We analyze theoretically the influence of domain walls (DWs) on the DC Josephson current in magnetic superconducting S$_{m}$/Fl/F/Fl/S$_{m}$ junctions. The Josephson junction consists of two "magnetic" superconductors S$_{m}$…
The generation of High-Frequency Gravitational Waves (HFGW) has been identified as the required breakthrough that will lead to new forms of space propulsion. Many techniques have been devised to generate HFGW, but most of them exhibit…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
Proposing new ways to organize carbon in 2D nanomaterials has been a relevant strategy in the search for systems with targeted properties for different applications. One focus is the study of fully sp$^2$ non-graphitic networks, with…