Inclusion of local structure effects in theoretical x-ray resonant scattering amplitudes usingab initiox-ray-absorption spectra calculations

Time-resolved in situ investigations of reactive sputtering processes by grazing incidence X-ray absorption spectroscopy

“…The CL-data were convoluted with a Lorentzian of tabulated linewidth (4.88 eV in our case, see [29]) in order to account for core-hole lifetime effects as described in more detail in [30]. This calculated Xray absorption spectrum was subsequently Kramers-Kronig-transformed using the computer code described in [30], giving finally the complex index of refraction associated with the thin film material. It has to be stressed here that the Kramers-Kronig transform is only necessary for the calculation of the refractive index of the thin film.…”

Diffraction anomalous fine-structure spectroscopy at beamline BM2 at the European Synchrotron Radiation Facility

“…Because of this, DAFS may distinguish the valence and local environment of atoms of the same atomic number located on different crystallographic sites. This has been used, for example, to recover the Fe scattering anomalous terms of the tetrahedral and octahedral sites in magnetite [Pickering et al, 1993a], the local environment of Cu1 and Cu2 sites in the superconductor Y Ba 2 Cu 3 O 7 [Cross et al, 1997, Cross et al, 1998b, and the interface structure of an Ir/Fe superlattice [Renevier et al, 1997]. In the special case of magnetite, there exist Bragg reflections strictly sensitive either to the octahedral or tetrahedral sites and without contribution from the other site.…”

“…We observe in figure 8d that the distortion of the Extended DAFS is negligible for the (006) Bragg reflection whereas it is strong for the (004), shown in figure 8c. It has to be noted that amplitude contrast of the DAFS oscillations at first order is weighted [Proietti et al, 1999] [Cross et al, 1998b, Toda et al, 1998]. Forbidden reflections are a limiting case where…”

“…As calculated with the program DIFFKK [Cross et al, 1998b]. The fine structure oscillations give information about the local atomic environment of the resonant atom.…”

“…A (E) in equation 11, can be calculated either from the fluorescence spectrum, using for instance the software DIFFKK [Cross et al, 1998b] (note that in case of strong absorption, the fluorescence spectrum is distorted by self-absorption and corrections must be applied [Tröger et al, 1998]), or from theoretical values. An experimental A( − → Q , E) can be obtained at a given − → Q by measuring the DAFS spectrum of a Bragg peak which is not sensitive to the anomalous atoms (i.e.…”