相关论文: Dynamic screening in L_2,3-shell transition metal …
The relativistic nuclear recoil, higher-order interelectronic-interaction, and screened QED corrections to the transition energies in Li-like ions are evaluated. The calculation of the relativistic recoil effect is performed to all orders…
The cross section for single K-shell ionization by a high-energy photon is evaluated in the next-to-leading order of the nonrelativistic perturbation theory with respect to the electron-electron interaction. The screening corrections are of…
A specific absorption rate of a dilute assembly of various random clusters of iron oxide nanoparticles in alternating magnetic field has been calculated using Landau- Lifshitz stochastic equation. This approach simultaneously takes into…
We have studied the trends in CO adsorption on close-packed metal surfaces: Co, Ni, Cu from the 3d row, Ru, Rh, Pd, Ag from the 4d row and Ir, Pt, Au from the 5d row using density functional theory. In particular, we were concerned with the…
We report the observation and the theoretical explanation of the parametric down-conversion nonlinear susceptibility at the $K$-absorption edge of diamond and at the $L_{23}$-absorption edge of a silicon crystal. Using arguments similar to…
Transition metal chromophores with earth-abundant transition metals are an important design target for their applications in lighting and non-toxic bioimaging, but their design is challenged by the scarcity of complexes that simultaneously…
Cross section ratios for deep-inelastic scattering from $^3$He, $^{14}$N and $^{84}$Kr with respect to $^2$H have been measured by the HERMES collaboration at DESY using a 27.5 GeV positron beam. The data cover a range in the Bjorken…
X-ray reflection spectra are an important component in the X-ray spectra of many active galactic nuclei and Galactic black hole candidates. It is likely that reflection takes place from highly ionized surfaces of the accretion disc in some…
L-edge X-ray absorption spectra for first-row transition metal complexes are obtained from relativistic equation-of-motion singles and doubles coupled-cluster (EOM-CCSD) calculations that make use of the core-valence separation (CVS)…
X-ray absorption spectroscopy provides a potentially powerful tool in determining the metal abundances in various phases of the interstellar medium (ISM). We present a case study of the sight line toward 4U 1820-303 (Galactic coordinates l,…
Crystal orientation and strain mapping of an individual curved and asymmetrical core-shell hetero-nanowire is performed based on transmission electron microscopy. It relies on a comprehensive analysis of scanning nanobeam electron…
The L2,3 X-ray emission of Cu metal has been measured using monochromatic synchrotron radiation. The self-absorption effect in the spectra is shown to be very small in our experimental geometry. From the quantitative analysis of spectra…
We present a comparative analysis of 1$s$ and 2$p$ core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO$_2$ and CrO$_2$. Even though the V 1$s$ and 2$p$ spectra in VO$_2$ display similar line shapes except the…
We report on a novel approach to dynamic compression of materials that bridges the gap between previous static- and dynamic- compression techniques, allowing to explore a wide range of pathways in the pressure-temperature space. By…
We calculate the long-wavelength static screening properties of both neutral and doped graphene in the framework of density-functional theory. We use a plane-wave approach with periodic images in the third dimension and truncate the Coulomb…
We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbital-specific changes in the substrate electronic structure.…
$V_2O_3$ has long been studied as a prototypical strongly correlated material. The difficulty in obtaining clean, well ordered surfaces, however, hindered the use of surface sensitive techniques to study its electronic structure. Here we…
X-ray diffractometers primarily designed for surface x-ray diffraction are often used to measure the diffraction from powders, textured materials, and fiber-texture samples in so-called $2\theta$ scans. Unlike high-energy powder diffraction…
A method is formulated, based on combining self-consistent field theory with dynamically corrected transition state theory, for estimating the rates of adsorption and desorption of end-constrained chains (e.g. by crosslinks or…
The role of absorption in 3D electron diffraction is established through analytical theory, simulation, and dynamical refinement. A two-beam expression for the absorbed integrated intensity is derived, showing that for $t/\xi_g \ll 1$…