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

We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT)…

Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes…

The technique of propagating spin wave spectroscopy is applied to a 20 nm thick Fe/MgO (001) film. The magnetic parameters extracted from the position of the resonance peaks are very close to those tabulated for bulk iron. From the…

From measurements of the current-perpendicular-to-plane (CPP) magnetoresistance of ferromagnetically coupled [Co(90)Fe(10)/Cu]xn multilayers, within sputtered Permalloy-based double exchange biased spin-valves, we determine the parameter…

The iron magnetic form factor in SrFe2As2 has been determined by neutron diffraction and by density functional theory (DFT). As noted previously, the magnitude of the calculated moment using DFT is sensitive to the Fe-As distance. However,…

We investigate spin-flip processes of Si quantum dots due to spin-orbit coupling. We utilize the spin-orbit coupling constants related to bulk and structure inversion asymmetry obtained numerically for two dimensional heterostructures. We…

Frustrated triangular molecular magnets (MMs) with anti-ferromagnetic ground states (GS) are an important class of magnetic systems with potential applications in quantum information processing. The two-fold degenerate GS of these…

Spin fluctuations have been proposed as a key mechanism for mediating superconductivity, particularly in high-temperature superconducting cuprates, where conventional electron-phonon interactions alone cannot account for the observed…

Recently, unconventional antiferromagnets that enable the splitting of electronic spins have been theoretically proposed and experimentally realized, where the magnetic sublattices containing moments pointing at different directions are…

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 compute spinning four point functions in the quasi-fermionic three dimensional conformal field theory with slightly broken higher spin symmetry at finite t'Hooft coupling. More concretely, we obtain a formula for $\langle j_s…

We recently proposed a scheme to generalize collinear functionals to the noncollinear regime, termed the multicollinear approach. The resulting noncollinear functionals preserve spin symmetry while providing numerically stable higher-order…

We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines Density Functional and Dynamical Mean Field Theory using a multi-orbital perturbative solver for the many-body problem. Our…

We present a calculation of the effective cross section $\sigma_{eff}$, an important ingredient in the description of double parton scattering in proton-proton collisions. Our theoretical approach makes use of a Light-Front quark model as…

This is a brief overview of the spin physics opportunities at a high energy, high luminosity, polarized Electron-Ion Collider (EIC). It covers measurements of electroweak polarized structure functions, quark and gluon PDFs, TMDs, GPDs and…

An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…

The availability of collisional rate coefficients is a prerequisite for an accurate interpretation of astrophysical observations, since the observed media often harbour densities where molecules are populated under non--LTE conditions. In…

We consider the spin-exchange (SE) cross section in electron scattering from $^3$He\,{\scriptsize II}, which drives the hyperfine-changing \hbox{3.46 cm} (8.665 GHz) line transition. Both the analytical quantum defect method --- applicable…

VO2 is renowned for its electric transition from an insulating monoclinic (M1) phase characterized by V-V dimerized structures, to a metallic rutile (R) phase above 340 Kelvin. This transition is accompanied by a magnetic change: the M1…

We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…