相关论文: DFT Calculations as a Tool to Analyse Quadrupole S…

An electric current flowing in a ferromagnetic metal carries spin angular momentum, i.e. it is spin-polarized. Here, we measure the spin-wave Doppler shift induced by the transfer of angular momentum from the diffusive spin-polarized…

We study the EFT of a spinning compact object and show that with appropriate gauge fixing, computations become amenable to worldline quantum field theory techniques. We use the resulting action to compute Compton and one-loop scattering…

We have performed x-ray absorption spectroscopy (XAS) measurements on a series of Ir-based 5d transition metal compounds, including Ir, IrCl3, IrO2, Na2IrO3, Sr2IrO4, and Y2Ir2O7. By comparing the intensity of the "white-line" features…

We report the production of highly spin-polarized Deuterium atoms via photodissociation of deuterium iodide at 270 nm. The velocity distribution of both the deuterium and iodine photodissociation products is performed via velocity mapping…

We show that, in ideal-spin hydrodynamics, the components of the spin tensor follow damped wave equations. The damping rate is related to nonlocal collisions of the particles in the fluid, which enter at first order in $\hbar$ in a…

Based on first-principles density functional calculations, a general approach for determining and analyzing the degree of spin polarization (P) in ferromagnets is presented. The approach employs the so-called tetrahedron method to evaluate…

X-ray diffraction (XRD) and M\"ossbauer spectroscopy techniques combined with theoretical calculations based on the Korringa-Kohn-Rostoker (KKR) electronic structure calculation method were used to investigate \sigma-phase Fe_{100-x}Re_{x}…

We develop a drift-diffusion equation that describes electron spin polarization density in two-dimensional electron systems. In our approach, superpositions of spin-up and spin-down states are taken into account, what distinguishes our…

I summarize Density Functional Theory (DFT) in a language familiar to quantum field theorists, and introduce several apparently novel ideas for constructing {\it systematic} approximations for the density functional. I also note that, at…

The role of the pseudospin symmetry in the inversion of the ground-state spin in Cu isotopes is investigated within the covariant density functional theory (CDFT). The density functional PC-PK1 gives a good agreement with the observed…

In this work, high throughput DFT calculations are performed on the alkali metal-based half Heusler alloys; LiY$_p$Y$^\prime_{1-p}$S (Y, Y$^\prime$ = V, Cr, Mn, Fe, Co, Ni and $\mathit{p}$ = 0, 0.25, 0.5, 0.75, 1). Starting with 243…

We discuss the system-specific optimization of long-range separated density functional theory (DFT) for the prediction of electronic properties relevant for a photocatalytic cycle based on an Ir(III) photosensitizer (IrPS). Special…

We generalize the mechanical interpretation of the forces between quark and gluon subsystems, previously studied for the nucleon, to arbitrary higher-spin particles. For spin-0 and spin-1/2 particles, this force is characterized by the…

We have performed calculations based on the Skyrme energy density functional (EDF) that includes arbitrary mixing between protons and neutrons. In this framework, single-particle states are generalized as mixtures of proton and neutron…

We analyze possible ways to calculate magnetic exchange interactions within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using the susceptibilities obtained within the ladder…

The solution of the mean spherical approximation (MSA) integral equation for isotropic multicomponent dipolar hard sphere fluids without external fields is used to construct a density functional theory (DFT), which includes external fields,…

We consider the theory of spinor fields written in polar form, that is the form in which the spinor components are given in terms of a module times a complex unitary phase respecting Lorentz covariance. In this formalism, spinors can be…

Magnetic point-group analysis classifies altermagnets but returns only a binary symmetry verdict, leaving spin-splitting energy (SSE) inaccessible without spin-polarized density functional theory (DFT). This binary ceiling is not…

Superatoms, stable atomic clusters acting as building blocks for new materials, offer unique opportunities due to their rich properties and potential for 2D material assembly. While extensive research has focused on their similarities to…

Time- and spatially-resolved Faraday rotation spectroscopy is used to measure the magnitude and direction of the momentum-dependent spin splitting in strained InGaAs epilayers. The epilayers are lattice-matched to the GaAs substrate and…