Related papers: Self-interaction correction schemes for non-collin…
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…
We propose approximations which go beyond the local density approximation for the short-range exchange and correlation density functionals appearing in a multi-determinantal extension of the Kohn-Sham scheme. A first approximation consists…
Spin rectification in a single crystal Fe/Au/Fe sandwich is electrically detected for collinear and non-collinear magnetization and external magnetic field configurations. The line shape, line width and signal polarity are analysed. The…
We show that the spin-current response of a semiconductor crystal to an external electric field is considerably more complex than previously assumed. While in systems of high symmetry only the spin-Hall components are allowed, in systems of…
We study the semiclassical dynamics of a spinor condensate with the magnetic dipole-dipole interaction included. The time evolution of the population imbalance and the relative phase among different spin components depends greatly on the…
We study the time-development processes of spin and charge transport phenomena in a topological Dirac semimetal attached to a ferromagnetic insulator with a precessing magnetization. Compared to conventional normal metals, topological Dirac…
We present an effective non-relativistic theory of self-interacting dark matter. We classify the long range interactions and discuss how they can be generated from quantum field theories. Generic dark sectors can generate singular…
Chiral-Induced Spin Selectivity (CISS) describes the emergence of spin-polarized electron transport in chiral systems without magnetic fields, a remarkable effect in light-element materials with weak intrinsic spin-orbit coupling (SOC).…
The notion of chiral-induced spin selectivity (CISS) has attracted intensive research interest recently. However, the practical applications of the CISS effects face challenges due to relatively low spin polarization. In this Letter, we…
Despite generally lacking ferromagnetic properties or strong spin-orbit coupling, electrons in chiral molecules exhibit unique spin-dependent transport behavior, known as chiral-induced spin selectivity (CISS). This phenomenon implies a…
The exchange energy of an arbitrary collinear-spin many-body system in an external magnetic field is a functional of the spin-resolved charge and current densities, $E_x[n_{\uparrow},n_{\downarrow},j_{\uparrow},j_{\downarrow}]$. Within the…
We introduce and analyze a nonlinear exchange dynamics for Ising spin systems with arbitrary interactions. The evolution is governed by a quadratic Boltzmann-type equation that conserves the mean magnetization. Collisions are encoded…
Calculations in Kohn-Sham density functional theory crucially rely on high-quality approximations for the exchange-correlation (xc) functional. Standard local and semi-local approximations fail to predict the ionization potential (IP) and…
Chirality-induced spin selectivity (CISS) has been extensively studied over the past two decades. While current-induced spin polarization in chiral molecules is widely recognized as the fundamental principle of the CISS, only a few studies…
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…
Accurate modeling of spin-orbit coupling and noncollinear magnetism requires noncollinear density functionals within the two-component generalized Kohn-Sham (GKS) framework, yet constructing and implementing noncollinear functionals remains…
Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…
Delivering the full benefits of first principles calculations to battery materials demands the development of accurate and computationally-efficient electronic structure methods that incorporate the effects of the electrolyte environment…
We train a neural network as the universal exchange-correlation functional of density-functional theory that simultaneously reproduces both the exact exchange-correlation energy and potential. This functional is extremely non-local, but…
In two-component self-interacting dark matter (SIDM) models with inter-species interactions, mass segregation arises naturally from collisional relaxation, enhancing central densities and gravothermal evolution. We demonstrate that models…