نتایج جستجو برای: ray absorption
تعداد نتایج: 419388 فیلتر نتایج به سال:
The 2p-3d core-hole interaction in the L2.3 absorption spectra of the transition metals is treated within time-dependent density functional theory. A simple three-level model explains the origin of the strong deviations from the one-particle branching ratio and yields matrix elements of the unknown exchange-correlation kernel directly from experiment.
Structural changes of the iron(II)-tris-bipyridine ([Fe(II)(bpy)(3)](2+)) complex induced by ultrashort pulse excitation and population of its short-lived (< or =0.6 ns) quintet high spin state have been detected by picosecond x-ray absorption spectroscopy. The structural relaxation from the high spin to the low spin state was followed over the entire lifetime of the excited state. A combined a...
We report about a fine structure in x-ray absorption spectra, named photon interference x-ray absorption fine structure (pXAFS). pXAFS is due to the interference of x-rays inside the sample and extends across absorption edges. Using a platinum foil pXAFS was measured in a high precision absorption experiment. Excellent agreement with a theoretical pXAFS simulation is achieved in the energy rang...
Utilizing a sum rule in a spin-resolved photoelectron spectroscopic experiment with circularly polarized light, we show that the orbital moment in LaTiO3 is strongly reduced from its ionic value, both below and above the Ne el temperature. Using Ti L2,3 x-ray absorption spectroscopy as a local probe, we found that the crystal-field splitting in the t2g subshell is about 0.12-0.30 eV. This large...
The crucial role of state-dependent fluorescence yield was established previously [2-4]. Ab initio RAS-SCF approaches for transition-metal L-edge spectroscopy have been reported before [5, 6] and it was established that the state-dependence fluorescence yield for aqueous Cr arises from local atomic effects [4]. In contrast to the assertions in [1] that the analysis in [4] is mostly based on sem...
The structure of thin-film water on a BaF(2)(111) surface under ambient conditions was studied using x-ray absorption spectroscopy from ambient to supercooled temperatures at relative humidity up to 95%. No hexagonal ice-like structure was observed in spite of the expected templating effect of the lattice-matched (111) surface. The oxygen K-edge x-ray absorption spectrum of liquid thin-film wat...
We report the implementation of a fully relativistic time dependent density functional theory (TDDFT) method for carrying out x-ray absorption spectroscopy calculations for extended systems. This is the first time that a TDDFT simulation of x-ray absorption in extended systems has featured a full potential ground state calculation. We prove that this unusual feature of the TDDFT implementation ...
The charge state and local ordering of Mn doped into a pulsed laser deposited single-phase thin film of ZnO are investigated by using x-ray absorption spectroscopy at the O K-edge, Mn K-edge and L-edge, and x-ray emission spectroscopy at the O K-edge and Mn L-edge. This film is ferromagnetic at room temperature. EXAFS measurement shows that Mn(2+) replaces the Zn site in tetrahedral symmetry, a...
The low-temperature hidden-order state of URu2Si2 has long been a subject of intense speculation, and is thought to represent an as-yet-undetermined many-body quantum state not realized by other known materials. Here, x-ray absorption spectroscopy and high-resolution resonant inelastic x-ray scattering are used to observe electronic excitation spectra of URu2Si2, as a means to identify the degr...
Context. Most X-ray studies of Broad Absorption Line Quasars (BALQSOs) found significant (NH ∼ 1022−24 cm−2) intrinsic column densities of gas absorbing an underlying typical power-law continuum emission, in agreement with expectations from radiatively driven accretion disk wind models. However, direct spectral analysis was performed only on a limited number of bright sources. Aims. We investig...
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