scholarly journals An XAFS Investigation of static and thermal disorder above the Nickel K-edge

2014 ◽  
Vol 70 (a1) ◽  
pp. C960-C960 ◽  
Author(s):  
Lachlan Tantau ◽  
Christopher Chantler ◽  
Md Islam ◽  
Jay Bourke

We present recent experimental X-ray Absorption Fine Structure (XAFS) data of the Nickel K-edge, measured at temperatures of 15, 70 and 140 K. This study has taken elements of the X-ray Extended Range Technique (XERT) and for the first time, applied them to a cryostat cold cell system. These measurements permit critical tests of XAFS theory, with emphasis on quantification of the Debye-Waller factor and static vs. thermal disorder. X-ray Absorption Fine Structure contains vital information about the surrounding system of an absorbing atom including crystal structure, bond distances and coordination number. It is crucial that we understand all processes that may affect the measured XAFS spectra. The aim of this study is to investigate thermal effects and quantify thermal and static disorder [1]. The XERT is an experimental technique developed by our group, capable of measuring X-ray mass attenuation coefficients on an absolute scale with accuracies down to 0.02% [2]. This study has taken crucial elements from the XERT and applied them to complex experimental systems. This includes, but is not limited to high accuracy energy calibration [3], quantification and correction of beam harmonics and fluorescence. Our robust technique allows us to take the high accuracy data required to determine fundamental structural and crystallographic properties. These developments give great insight into our understanding of more complex systems such as organometallic molecules and biological systems.

2020 ◽  
Vol 27 (5) ◽  
pp. 1262-1277
Author(s):  
Daniel Sier ◽  
Geoffrey P. Cousland ◽  
Ryan M. Trevorah ◽  
Ruwini S. K. Ekanayake ◽  
Chanh Q. Tran ◽  
...  

Measurements of mass attenuation coefficients and X-ray absorption fine structure (XAFS) of zinc selenide (ZnSe) are reported to accuracies typically better than 0.13%. The high accuracy of the results presented here is due to our successful implementation of the X-ray extended range technique, a relatively new methodology, which can be set up on most synchrotron X-ray beamlines. 561 attenuation coefficients were recorded in the energy range 6.8–15 keV with measurements concentrated at the zinc and selenium pre-edge, near-edge and fine-structure absorption edge regions. This accuracy yielded detailed nanostructural analysis of room-temperature ZnSe with full uncertainty propagation. Bond lengths, accurate to 0.003 Å to 0.009 Å, or 0.1% to 0.3%, are plausible and physical. Small variation from a crystalline structure suggests local dynamic motion beyond that of a standard crystal lattice, noting that XAFS is sensitive to dynamic correlated motion. The results obtained in this work are the most accurate to date with comparisons with theoretically determined values of the attenuation showing discrepancies from literature theory of up to 4%, motivating further investigation into the origin of such discrepancies.


2010 ◽  
Vol 1 (SRMS-7) ◽  
Author(s):  
P. Fornasini

Understanding the effects of thermal disorder on extended X-ray absorption fine structure increases the accuracy of results and allows one to gain original insights on local dynamical properties. Some recent advances are reviewed here.


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