Related papers: Spin Current Density Functional Theory of the Quan…

We describe how the spin Hall effect (SHE) can be studied from ab-initio by combining density functional theory with the non-equilibrium Green's functions technique for quantum transport into the so-called DFT+NEGF method. After laying down…

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…

We discuss an efficient scheme for obtaining spin-polarized quasi-particle excitation energies within the general framework of the density functional theory (DFT). Our approach is to correct the DFT eigenvalues via the electrostatic energy…

Motivated by recent experiments, we investigate the quantum spin Hall state in 2D topological insulator/ferromagnetic metal planar junctions by means of a tight-binding model and linear response theory. We demonstrate that whether the edge…

The spin dynamics of electrons in chiral molecular systems remain a topic of intense interest, particularly regarding whether geometric chirality inherently induces spin polarization in current-carrying electrons. In this work, we employ ab…

Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…

We study solvable spin chains, one-dimensional massless Dirac fermions, and conformal field theories (CFTs) with sine-square deformation (SSD), in which the Hamiltonian density is modulated by the function $f(x)=\sin^2 (\pi x/\ell)$, where…

We consider a class of 6D superconformal field theories (SCFTs) which have a large $N$ limit and a semi-classical gravity dual description. Using the quiver-like structure of 6D SCFTs we study a subsector of operators protected from large…

Linear scaling density functional theory approaches to electronic structure are often based on the tendency of electrons to localize even in large atomic and molecular systems. However, in many cases of actual interest, for example in…

The semiclassical Boltzmann transport equation of charged, massive fermions in a rotating frame of reference, in the presence of external electromagnetic fields is solved in the relaxation time approach to establish the distribution…

We use Density Functional Theory to study interacting spinless electrons on a one-dimensional quantum ring in the density range where the system undergoes Wigner crystallization. The Wigner transition leads to a drastic ``collective''…

This paper studies the performance of time-dependent density-functional theory (TDDFT) for calculating the dielectric function of semiconductors and insulators at finite momentum transfer, comparing against the standard Bethe-Salpeter…

We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…

We numerically investigate the Spin Density Functional theory for superconductors (SpinSCDFT) and the approximated exchange-correlation functional, derived and presented in the preceding paper I. As a test system we employ a free electron…

The spintronic properties of curved nanostructures derived from two-dimensional topological insulators (2DTI's) are explored theoretically with density functional theory-based (DFT) calculations and tight-binding models. We show that curved…

Despite the variety of available computational approaches, state-of-the-art methods for calculating excitation energies such as time-dependent density functional theory (TDDFT), are computationally demanding and thus limited to moderate…

The problem of capturing physical spin torques in non-collinear magnetic systems has dominated the scene of spin-density functional theory (SDFT) in the last two decades. Progress has been hindered by the fact that the spin torque is…

Density functional theory (DFT) is a widespread and effective tool in electronic structure calculations for ground-state electron systems. Its success has prompted exploration into the use of DFT for non-collective excited states. The delta…

A major challenge in using spin-flip time-dependent density functional theory (SF-TD-DFT) for spin-flip-down excitations is the presence of spin contamination. While several improved methods have been developed in the past, a simple and…

We consider the spin-orbit-induced spin Hall effect and spin swapping in diffusive superconductors. By employing the non-equilibrium Keldysh Green's function technique in the quasiclassical approximation, we derive coupled transport…