相关论文: DFT Calculations as a Tool to Analyse Quadrupole S…
Critical and compensation properties of a mixed spin-1 and spin-3/2 Ising ferrimagnet on a square lattice are investigated by standard and histogram Monte Carlo simulations. The critical temperature is studied as a function of a single-ion…
Interfacial spin-flip scattering plays an important role in magnetoelectronic devices. Spin loss at metallic interfaces is usually quantified by matching the magnetoresistance data for multilayers to the Valet-Fert model, while treating…
Spectral densities are computed in unprecedented detail for quantum antiferromagnetic spin 1/2 two-leg ladders. These results were obtained due to a major methodical advance achieved by optimally chosen unitary transformations. The approach…
Background: Understanding the experimental $B(E2)$ values for Sn isotopes around $^{110}$Sn has been a significant challenge in nuclear structure studies for over a decade. Both experimental data and many, though not all, calculations…
Analysis of the band structure of TiS$_3$ single-layers suggests the possibility of changing their physical behaviour by injecting electron carriers. The anisotropy of the valence and conduction bands is explained in terms of their complex…
FeO (w\"ustite), which exhibits complex electronic and structural properties with increasing pressure and temperature, is a key mineralogical phase for understanding deep planetary interiors. However, direct measurements of its spin state…
Approximate density functional theory (DFT) has become indispensable owing to its cost-accuracy trade-off in comparison to more computationally demanding but accurate correlated wavefunction theory. To date, however, no single density…
Incorporating for the first time both the spin and isospin degrees of freedom explicitly in transport model simulations of intermediate-energy heavy-ion collisions, we observe that a local spin polarization appears during collision process.…
We present here a study of the magnetic properties of the antiferromagnetic dimer material CuVOF$_4$(H$_2$O)$_6\cdot$H$_2$O, in which the dimer unit is composed of two different $S = 1/2$ species, Cu(II) and V(IV). An applied magnetic field…
The observation of the quark transversity distribution requires another soft object sensitive to the quark's transverse spin. Dihadron fragmentation functions represent a convenient tool to analyze partonic spin, which can influence the…
A very popular ab-initio scheme to calculate electronic properties in solids is the use of hybrid functionals in density functional theory (DFT) that mixes a portion of Fock exchange with DFT functionals. In spite of their success, a major…
We re-examine the calculation of the transverse spin-diffusion coefficient in a dilute degenerate spin-polarized Fermi gas, for the case of s-wave scattering. The special feature of this limit is that the dependence of the spin diffusion…
We report a study of the anisotropic exchange interactions in bulk CrO_2 calculated from first principles within density functional theory. We determine the exchange coupling energies, using both the experimental lattice parameters and…
We use the AdS/CFT correspondence to compute the drag force experienced by a heavy quark moving through a maximally supersymmetric SU(N) super Yang-Mills plasma at nonzero temperature and R-charge chemical potential and at large 't Hooft…
This paper presents the boundary conditions needed for drift-diffusion models to treat interfaces with spin-orbit coupling. Using these boundary conditions for heavy metal/ferromagnet bilayers, solutions of the drift-diffusion equations…
The quasi-one-dimensional spin ladder compounds, BaFe$_2$S$_3$ and BaFe$_2$Se$_3$, are investigated by infrared spectroscopy and density functional theory (DFT) calculations. We observe strong anisotropic electronic properties and an…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…
The development of quantitative models for radiation damage effects in iron, iron alloys and steels, particularly for the high temperature properties of the alloys, requires understanding of magnetic interactions, which control the phase…
Density functional theory (DFT) has been used as an important tool for studying activity of oxygen reduction reaction (ORR) catalysts. The dispersion effects, which are not encountered in many of the previous DFT studies for periodic…
Unlike covalent two-dimensional (2D) materials like graphene, 2D metals have non-layered structures due to their non-directional, metallic bonding. While experiments on 2D metals are still scarce and challenging, density-functional theory…