XAFS studies of glass structure

Author(s):  
G. Dalba ◽  

X-ray absorption fine structure (XAFS) spectroscopy has become one of the most important techniques to characterise the local coordination of specific atomic species present in condensed matter. The possibility of investigating the structure of noncrystalline materials has made XAFS very attractive for the study of the short range structure of the glassy state. The XAFS acronym denotes the structure present above the x-ray absorption edges; such a structure is distinguished as x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structure (EXAFS). XANES carries information on the atomic arrangement around the absorbing species: distances and bonding angles. XANES also provides information on the electronic states in the proximity of the conduction band: different chemical environments may be identified from known features in the spectrum. EXAFS provides information on the average distance and radial distribution function of the nearest neighbours of the absorbing species. In the last decade, the enormous progress of experimental techniques and the excellent quality of experimental spectra, consequent to the development of the synchrotron radiation facilities, have stimulated the evolution of the XAFS theory and analysis procedures. This paper is a survey on the theoretical development of XAFS and on the methods for determining the short range information in disordered materials. Applications of XAFS to some vitreous systems are reported.

2000 ◽  
Vol 15 (9) ◽  
pp. 1972-1984 ◽  
Author(s):  
M. Karabulut ◽  
G. K. Marasinghe ◽  
C. S. Ray ◽  
D. E. Day ◽  
G. D. Waddill ◽  
...  

The local structure of iron and uranium ions in a series of iron phosphate glasses with the general composition (40 – x)Fe2O3–xUO2–60P2O5 and (1–x–y)(40Fe2O3–60P2O5)– xUO2–y(Na2O or CaO) was investigated using Fe K-edge and U LIII-edge x-ray absorption fine structure spectroscopy. Replacing Fe2O3 by UO2 in the glass caused more distortion in the coordination environment of Fe(III) ions. Extended x-ray absorption fine structure fits revealed that the Fe–P bonds observed in the base glass also existed in all the waste-loaded glasses. X-ray absorption near-edge structure showed that the uranium ions were predominantly present as U(IV) in the glasses. Uranium ions were coordinated to approximately 8 ± 1 oxygen atoms and 2.5 ± 0.6 phosphorus atoms at an average distance of 2.47 ± 0.02 and 3.8 ± 0.02 Å, respectively. There were no Fe–U or U–Fe neighbors observed, indicating that uranium ions occupied voids in the glass away from the PO4 units. These conclusions were supported by Mössbauer, x-ray photoelectron, and Raman spectroscopic data.


2015 ◽  
Vol 22 (1) ◽  
pp. 124-129 ◽  
Author(s):  
Weiwei Gu ◽  
Hongxin Wang ◽  
Kun Wang

A series of Ni dithiolene complexes Ni[S2C2(CF3)]2n(n= −2, −1, 0) (1,2,3) and a 1-hexene adduct Ni[S2C2(CF3)2]2(C6H12) (4) have been examined by NiK-edge X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine-structure (EXAFS) spectroscopies. Ni XANES for1–3reveals clear pre-edge features and approximately +0.7 eV shift in the NiK-edge position for `one-electron' oxidation. EXAFS simulation shows that the Ni—S bond distances for1,2and3(2.11–2.16 Å) are within the typical values for square planar complexes and decrease by ∼0.022 Å for each `one-electron' oxidation. The changes in NiK-edge energy positions and Ni—S distances are consistent with the `non-innocent' character of the dithiolene ligand. The Ni—C interactions at ∼3.0 Å are analyzed and the multiple-scattering parameters are also determined, leading to a better simulation for the overall EXAFS spectra. The 1-hexene adduct4presents no pre-edge feature, and its NiK-edge position shifts by −0.8 eV in comparison with its starting dithiolene complex3. Consistently, EXAFS also showed that the Ni—S distances in4elongate by ∼0.046 Å in comparison with3. The evidence confirms that the neutral complex is `reduced' upon addition of olefin, presumably by olefin donating the π-electron density to the LUMO of3as suggested by UV/visible spectroscopy in the literature.


2016 ◽  
Vol 1133 ◽  
pp. 429-433
Author(s):  
Siti Nooraya Mohd Tawil ◽  
Shuichi Emura ◽  
Daivasigamani Krishnamurthy ◽  
Hajime Asahi

Local structures around gadolinium atoms in rare-earth (RE)-doped InGaGdN thin films were studied by means of fluorescence extended X-ray absorption fine structure (EXAFS) measured at the Gd LIII-edges. The samples were doped with Gd in-situ during growth by plasma-assisted molecular beam epitaxy (PAMBE). Gd LIII-edge EXAFS signal from the GaGdN, GdN and Gd foil were also measured as reference. The X-ray absorption near edge structure (XANES) spectra around Gd LIII absorption edge of InGaGdN samples observed at room temperature indicated the enhancement of intensities with the increase of Gd composition. Further EXAFS analysis inferred that the Gd atoms in InGaN were surrounded by similar atomic shells as in the case of GaGdN with the evidence indicating majority of Gd atoms substituted into Ga sites of InGaGdN. A slight elongation of bond length for the 2nd nearest-neighbor (Gd–Ga) of sample with higher Gd concentration was also observed.


1990 ◽  
Vol 209 ◽  
Author(s):  
Y.H. Kao ◽  
A. Krol ◽  
Z.H. Ming ◽  
C.S. Lin ◽  
Y.L. Soo ◽  
...  

ABSTRACTLocal structure around the constituent atoms in the compound system Y1-xPrxBa2CU3O7-y has been investigated by means of x-ray absorption fine structure (XAFS) techniques. By comparing the local structure in the compound x=1 with its counterpart x=0, the XAFS results provide a direct evidence that Pr has replaced Y in the material. The nearest-neighbor structure in the CuO2 planes seems to remain intact as × varies from 0 to 1, indicating that substitution of Pr for Y does not disturb the local distribution of holes in the CuO2 planes. We suggest that local disorder and distortions in the second-neighbor bonding configuration could be responsible for suppression of superconductivity with increasing Pr content in the system.


2016 ◽  
Vol 6 (2) ◽  
pp. 93-97
Author(s):  
María de los A. Cepeda-Pérez ◽  
Cristina M. Reyes-Marte ◽  
Valerie Ann Carrasquillo ◽  
William A. Muñiz ◽  
Edgar J. Trujillo ◽  
...  

Abstract


1995 ◽  
Vol 51 (2) ◽  
pp. 751-755 ◽  
Author(s):  
L. E. Cox ◽  
R. Martinez ◽  
J. H. Nickel ◽  
S. D. Conradson ◽  
P. G. Allen

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