Related papers: Magnetoconductance of interacting electrons in qua…
Periodic and cluster density-functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-1/2 frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain…
We present results from a theoretical and experimental study of spin-splitting in small open lateral quantum dots (i.e. in the regime when the dot is connected to the reservoirs via leads that support one or more propagating modes). We…
We study self-energy effects induced by strong magnetic fluctuations in the paramagnetic phase of strongly-correlated itinerant magnets within the density functional theory combined with the dynamical mean field theory (DFT+DMFT approach)…
We have studied quantum wires using the Green's function technique and the density-functional theory, calculating the electronic structure and the conductance. All the numerics are implemented using the finite-element method with a…
We present analysis of the interacting quantum wire problem in the presence of magnetic field and spin-orbit interaction. We show that an interesting interplay of Zeeman and spin-orbit terms, facilitated by the electron-electron…
Magnetic 2D materials have achieved significantly consideration owing to their encouraging applications. A variation of these 2D materials by occurrence of defects, by the transition-metal doping or adsorption or by the surface…
Electron transport through multi-terminal rectangular arrays of quantum rings is studied in the presence of Rashba-type spin-orbit interaction (SOI) and of a perpendicular magnetic field. Using the analytic expressions for the transmission…
We use a Boltzmann equation to determine the magnetoconductivity of quantum wires. The presence of a confining potential in addition to the magnetic field removes the degeneracy of the Landau levels and allows one to associate a group…
Zero length quantum wires (or point contacts) exhibit unexplained conductance structure close to 0.7 X 2e^2/h in the absence of an applied magnetic field. We have studied the density- and temperature-dependent conductance of…
We analyze the ground state energy and spin of quantum dots obtained from spin density functional theory (SDFT) calculations. First, we introduce a Strutinsky-type approximation, in which quantum interference is treated as a correction to a…
A self-consistent treatment of exchange and correlation interactions in a quantum wire (QW) subject to a strong perpendicular magnetic field is presented using a modified local-density approximation (MLDA). The influence of many-body…
Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…
Multi-center transition metal complexes (MCTMs) with magnetically interacting ions have been proposed as components for information processing devices and storage units. For any practical application of MCTMs as magnetic units, it is…
We employ the density functional Kohn-Sham method in the local spin-density approximation to study the electronic structure and magnetism of quasi one-dimensional periodic arrays of few-electron quantum dots. At small values of the lattice…
The Fe$_{n}$GeTe$_{2}$ systems are newly discovered two-dimensional van-der-Waals materials, exhibiting magnetism at room temperature. The sub-systems belonging to Fe$_{n}$GeTe$_{2}$ class are special because they show site-dependent…
We examine a modified drift-diffusion formalism to describe spin transport near an ultrathin magnet whose thickness is similar to or less than the spin dephasing length. Most of the previous theories on spin torque assume the transverse…
Density, temperature and magnetic field dependences on electron transport in a quantum wire were studied. Decrease of carrier density gives a negative conductance correction on the first plateau at low temperatures. The prominent and…
Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…
Spin-wave excitations are fundamental to understanding the behavior of magnetic materials and hold promise for future information and communication technologies. Yet, modeling these accurately in transition-metal compounds remains…
In this dissertation we use sophisticated numerical methods in order to examine ground-state (GS) properties of two types of quantum systems with electron electron interactions: A quantum dot (QD) and a nano-wire. In the first half of the…