scholarly journals Calculation of X-ray absorption structure above K-edge of laser shock-compressed aluminum

1990 ◽  
Vol 8 (1-2) ◽  
pp. 319-325 ◽  
Author(s):  
A. Djaoui ◽  
T. A. Hall ◽  
R. C. Albers ◽  
J. J. Rehr ◽  
J. Mustre

Aluminum sandwich foils can be compressed to more than twice the normal density by the use of shock waves generated by laser beams. We present calculations of the K-edge absorption structure of two fold compressed aluminum, and compare the results with experimental data. The atomic potential is calculated using a spherical band-structure model with Fermi-Dirac statistics for the electrons. The structure above the K-edge is calculated according to the Müller-Shaich formula for the propagating photo-electron. The mean free path of the electron is taken into account through a complex exchange correlation potential. An appropriate Debye-Waller factor is used to represent the effect of the relatively high temperature encountered in these experiments.

1995 ◽  
Vol 02 (02) ◽  
pp. 255-268 ◽  
Author(s):  
L. LOZZI ◽  
M. PASSACANTANDO ◽  
P. PICOZZI ◽  
S. SANTUCCI ◽  
M. DE CRESCENZI

Detailed extended oscillating features above the Cu M2,3VV Auger transition, recently named EXFAS (Extended Fine Auger Structure), and above the Cu M2,3 core edge, named EELFS (Electron Energy-Loss Fine Structure), on the polycrystalline Cu surface have been compared to assess the short-range nature of the EXFAS features. To obtain the structural information in terms of Debye-Waller factor, interatomic distance, anharmonic effects, backscattering amplitude, and phase-shift functions, the data analysis has been performed following the EXAFS (Extended X-ray Absorption Fine Structure) procedure. The intensity of the extended structures decreases strongly when the temperature increases. In both cases no difference, as a function of temperature, in the nearest-neighbor distance was observed but a sizeable increase of the Debye-Waller factor was observed. The Debye-Waller factor has been fitted, as a function of temperature, to obtain the Debye temperature. The main result shows that the EELFS spectroscopy mainly investigates the bulk properties because of the high mean free path of the analyzed electrons. On the contrary, the Debye-Waller factor obtained from the analysis on the EXFAS structures, which are due to the first 2–4 atomic layers, is greater than that obtained from the EELFS analysis because of the greater movement of the surface atoms with respect to the bulk atoms. The close analogy between the EELFS and EXFAS structural results confirms that the extended features above the Auger transition are dominated by a genuine autoionization effect rather than by a diffraction process and/or a density-of-state effects which modulate the background of the secondary emitted electrons. Our interpretation is confirmed by the complete lack of the extended Auger features in the electron yield spectrum, N(E), when a monochromatic X-ray source is used.


2007 ◽  
Vol 1043 ◽  
Author(s):  
Hirotaka Ohno ◽  
Daiju Matsumura ◽  
Yasuo Nishihata ◽  
Jun'ichiro Mizuki ◽  
Norito Ishikawa ◽  
...  

AbstractCeO2 thin films were irradiated with 200MeV Xe ions. Effects of the irradiation were studied by using Extended X-ray Absorption Fine Structure (EXAFS) measurement at SPring8 synchrotron radiation facility. EXAFS spectra for the irradiated thin films near the Ce K-edge show that the coordination number for oxygen atoms around Ce atom decreases and that the Ce-O Debye-Waller factor increases by the irradiation. The atomic distance between oxygen atom and Ce atom does not vary within the accuracy of EXAFS measurement. The effect of high density electronic excitation on the structure of CeO2 is discussed.


2011 ◽  
Vol 178-179 ◽  
pp. 353-359 ◽  
Author(s):  
Johannes Will ◽  
Alexander Gröschel ◽  
Christoph Bergmann ◽  
Andreas Magerl

The measurement of Pendellösungs oscillations was used to observe the time dependent nucleation of oxygen in a Czochralski grown single crystal at 750°C. It is shown, that the theoretical approach of the statistical dynamical theory describes the data well. Within the framework of this theory it is possible to determine the static Debye-Waller-factor as a function of the annealing time by evaluating the mean value of the Bragg intensity and the period length. The temperature influence on the Pendellösungs distance was corrected for by measurement of a Float-zone sample at the same temperature.


2013 ◽  
Vol 27 (26) ◽  
pp. 1350191
Author(s):  
HO KHAC HIEU ◽  
VU VAN HUNG

The statistical moment method has been used to study the effect of isotopic mass difference on extended X-ray absorption fine structure (EXAFS) Debye–Waller factor of crystalline germanium. The effects on the parallel mean-square relative displacement and the atomic mean square displacements have been considered. This research also exposed that isotopic effect is noticeable where the correlated atomic motion is concerned. Numerical calculations have been performed for two isotopes 70 Ge and 76 Ge in range of temperature from 0 K to 600 K. Our results are compared with available experimental EXAFS data [J. Purans et al., Phys. Rev. Lett.100 (2008) 055901] as well as with lattice dynamics calculations [A. Sanson, Solid State Sci.12 (2010) 1988] and the good agreements are found.


1995 ◽  
Vol 400 ◽  
Author(s):  
J. R. Regnard ◽  
C. Revenant-Brizard ◽  
B. Dieny ◽  
B. Mevel ◽  
J. Mimault

AbstractHeterogeneous alloys CoxAg1-x with atomic concentrations x=0.20 and 0.35, presenting giant magnetoresistance properties, have been studied by Total Electron Yield X-ray absorption spectroscopy at liquid nitrogen temperature at the Co K edge after annealings at various temperatures. For both sample concentrations, the Co atoms are mainly in small filament agglomerates for the as-deposited and low temperature annealed samples (T<150°C). In this temperature range, the local Co atomic environment is very stable and disordered. A structural change has been detected by XANES and EXAFS analysis between the 250 and 400°C annealings. After a 400°C annealing during 10 min, the nanostructures evolve towards larger, more compact and well ordered granules. The Co-Co distance varies from 0.246 to 0.248 nm as the annealing temperature increases indicating that the small filament-shaped agglomerates are under strain in the Ag matrix. The Debye-Waller factor of the Co0.35Ag0.65 samples decreases continously as the annealing temperature increases, as this factor drops suddenly after a 250°C annealing for the Co0.20Ag0.80 sample. The Co agglomeration is steadily larger for the Co0.35Ag0.65 sample than for the Co0.20Ag0.80 one. The Co-Ag contribution is negligible for the Co0.35Ag0.65 sample, as it represents approximately one third of the nearest neighbors for the Co0.20Ag0.80 sample from the as-deposit up to a 250°C annealing stage.


1998 ◽  
Vol 5 (3) ◽  
pp. 1004-1006 ◽  
Author(s):  
T. Murata ◽  
K. Nakagawa ◽  
Y. Otsuki ◽  
I. Shimoyama ◽  
T. Mizutani ◽  
...  

The results of Br K-edge X-ray absorption measurements of 1-bromonaphthalene dissolved in supercritical fluid Xe are reported. As the pressure of Xe confined in a high-pressure cell is increased, the absorption spectrum of bromonaphthalene gradually appears, showing that Xe in the supercritical fluid state solvates the bromonaphthalene molecule. The spectrum of the dissolved sample shows a remarkable difference from that of the pure liquid sample in the near-edge region of the X-ray absorption spectrum, reflecting the interaction of the solute material with solvent Xe. Ab initio full multiple-scattering calculations can reproduce the spectral features qualitatively. A large value of the Debye–Waller factor must be introduced to give the best fit, corresponding to a large degree of spatial disorder and violent thermal vibration of the Xe atoms around the Br atom.


Sign in / Sign up

Export Citation Format

Share Document