Related papers: Sigma-phase in the Fe-Re alloy system: experimenta…
The structural phase transitions and the fundamental band gaps of Mg(x)Zn(1-x)O alloys are investigated by detailed first-principles calculations in the entire range of Mg concentrations x, applying a multiple-scattering theoretical…
We construct an electron optical system to investigate Bragg diffraction (the crystal lattice plane, $10^{-2}$-$10^{-3}$ rad) with the objective lens turned off by adjusting the current in the intermediate lenses. A crossover was located on…
The simplified bandstructure introduced by Mazurenko et al to model FeSi is used to analyze the singlet semiconductor to ferromagnetic metal transition in the isoelectronic isostructural alloys, FeSi$_{1-x}$Ge$_x$. The complex bandstructure…
The narrow, neutral Fe K{\alpha} fluorescence emission line in X-ray binaries (XRBs) is a powerful probe of the geometry, kinematics and Fe abundance of matter around the accretion flow. In a recent study it has been claimed, using…
The electronic structure of the $(2\sqrt{2}\times\sqrt{2})R45^{\circ}$ O/Cu(001) system has been calculated using locally self-consistent, real space multiple scattering technique based on first principles. Oxygen atoms are found to perturb…
Periodic structures of phases with orientational order of molecules, but homogenous electron density distribution: a short pitch cholesteric, blue phase and twist-bend nematic phase, were probed by a resonant soft x-ray scattering (RSoXS)…
The Li-centered "ferric wheel" molecules with six oxo-bridged iron atoms form molecular crystals. We probed their electronic structure by X-ray photoelectron (XPS) and soft X-ray emission spectroscopy (XES), having calculated in parallel…
We investigate the Cr electronic structure and excitations in CrSBr, a layered magnetic semiconductor, using a combination of resonant x-ray spectroscopic techniques. X-ray absorption spectroscopy (XAS) and resonant inelastic x-ray…
In this work we present a systematic experimental and theoretical study of the structural, transport and superconducting properties of Sm(Fe1-xRux)As(O0.85F0.15) polycrystalline samples as a function of Ru content (x) ranging from 0 to 1.…
We clarify the ground state phase diagram of the half-filled square-lattice Hubbard model with Rashba spin-orbit coupling (SOC) characterized by the spin-split energy bands due to broken inversion symmetry. Although the Rashba metals and…
Phase selection in Ti-Zr-Hf-Al high-entropy alloys was investigated by in-situ high-energy X$-$ray diffraction, single-crystal X$-$ray diffraction, and density-functional theory based electronic-structure methods that address disorder and…
The electronic structure of the vacancy-ordered K$_{0.5}$Fe$_{1.75}$Se$_2$ iron-selenide compound (278 phase) is studied using the first-principles density functional method. The ground state of the 278 phase is stripe-like…
The ladder compound Sr$_{14}$Cu$_{24}$O$_{41}$ is of interest both as a quasi-one-dimensional analog of the superconducting cuprates and as a superconductor in its own right when Sr is substituted by Ca. In order to model resonant inelastic…
Density functional theory calculations within the generalized gradient approximation are employed to study the ground state of Co2FeAl. Various magnetic configurations are considered to find out its most stable phase. The ferromagnetic…
Based on the available literature reviewed are results pertinent to the effect of magnetism on lattice dynamics obtained by M\"ossbauer spectroscopy at 57Fe and 119Sn probe atoms. Presented and discussed are sigma-phase Fe-Cr, Fe-V,…
Ab initio simulations carried out in different atomic cluster configurations in bcc Fe matrix containing Zr and Al suggest energetic favorability of Y-Zr-O phase nucleation, preferably with trigonal Y4Zr3O12 structure. Subsequently, the…
Dielectronic and higher-order resonant electron recombination processes including a K-shell excitation were systematically measured at high resolution in electron beam ion traps. Storing highly charged Ar, Fe, and Kr ions, the dependence on…
We have studied the electronic structure of unoccupied states measured by O K-edge and Cu L-edge x-ray absorption spectroscopy (XAS), combined with crystal structure studied by high resolution powder x-ray diffraction (HRPXRD), of…
Recently, rutile RuO$_2$ has raised interest for its itinerant antiferromagnetism, crystal Hall effect, and strain-induced superconductivity. Understanding and manipulating these properties demands resolving the electronic structure and the…
Using Luescher's method we determine the elastic scattering phases in the broken phase of the 4-dimensional O(4) non-linear sigma-model from the two-particle energy spectrum in a Monte-Carlo study on finite lattices. In the…