相关论文: Multiple-Scattering Theory of X-Ray Magnetic Circu…
We study the magneto-optical response of noble metal nanoparticle clusters. We consider the interaction between the light-induced dipoles of particles. In the presence of a magnetic field, the simplest achiral cluster, a dimer, exhibits…
X-ray absorption spectroscopy measured at the $L$-edge of transition metals (TMs) is a powerful element-selective tool providing direct information about the correlation effects in the $3d$ states. The theoretical modeling of the…
Nanoscale structural and electronic heterogeneities are prevalent in condensed matter physics. Investigating these heterogeneities in three dimensions (3D) has become an important task for understanding their material properties. To provide…
We develop a new physical model for the broadband spectral energy distribution (SED) of X-ray illuminated accretion discs, that takes into account the mutual interaction of the accretion disc and the X-ray corona, including all relativistic…
It is shown that the errors of present-day exchange-correlation (xc) functionals are rather short ranged. For extended systems the correction can therefore be evaluated by analyzing properly chosen clusters and employing highest-quality…
We report a first principles, self-consistent, all electron, linear combination of Gaussian orbitals (LCGO) calculation of a comprehensive collection of magneto-optical properties of nickel and iron based on density functional theory. Among…
We present an x-ray magnetic dichroism (XMCD) and soft x-ray absorption spectroscopy (XAS) study to address the nature of emerging magnetic order in metallic Copper as Cobalt is added to the matrix. For this purpose line shape and energy…
We present a computational study of $L$-edge resonant inelastic x-ray scattering (RIXS) in correlated 3$d$ transition-metal oxides using an $ab$ $initio$ method based on local density approximation + dynamical mean-field theory (DMFT). The…
X-ray photoabsorption cross sections have been computed for all magnesium ions using the $R$-matrix method. A comparison with the other available data for Mg II-Mg X shows good qualitative agreement in the resultant resonance shapes.…
Magnetic x-ray diffraction combined with x-ray focusing optics is used to image individual antiferromagnetic spin density wave domains in a chromium single crystal at the micron scale. The cross section for non-resonant magnetic x-ray…
Multi-energy X-ray tomography is studied for decomposing three materials using three X-ray energies and a classical energy-integrating detector. A novel regularization term comprises inner products between the material distribution…
The polarization of x-rays plays an outstanding role in experimental techniques such as non-resonant magnetic x-ray scattering and resonant x-ray scattering of magnetic and multipolar order. Different instrumental methods applied to…
X-rays illuminating the accretion disc in active galactic nuclei give rise to an iron K line and its associated reflection spectrum which are lagged behind the continuum variability by the light-travel time from the source to the disc. The…
The X-ray Imaging and Spectroscopy Mission (XRISM), launched into low-Earth orbit in 2023, observes the reflection of solar flare X-rays in the Earth's atmosphere as a by-product of celestial observations. Using a $\sim$one-year data set…
We present the first analytic-derivative-based formulation of vibrational circular dichroism (VCD) atomic axial tensors for second-order Moller-Plesset (MP2) perturbation theory. We compare our implementation to our recently reported…
Circular dichroism (CD) and other chiroptical responses are a key probe of both chirality and momentum-space geometry in solids, but first-principles calculations are still challenging in periodic systems with strong exciton effects. Here,…
We discuss the problem of the X-ray absorption in a system of interacting fermions and, in particular, those features in the X-ray spectra that can be used to discriminate between conventional Fermi-liquids and novel "strange metals".…
Magnetic reconnection is one of the prime candidate mechanisms that may energize the plasma emitting the strongly polarized X-ray emission from black hole X-ray binaries (BHXRBs) in their hard states. The mechanism requires strong magnetic…
An ab initio theory is devised for the x-ray photoabsorption cross section of atoms in the field of a moderately intense optical laser (800nm, 10^13 W/cm^2). The laser dresses the core-excited atomic states, which introduces a dependence of…
The quasiclassical Green functions of the Dirac and Klein-Gordon equations in the external electric field are obtained with the first correction taken into account. The relevant potential is assumed to be localized, while its spherical…