High energy asymptotics for the total scattering phase in potential scattering theory

Author(s):  
Arne Jensen
2015 ◽  
Vol 17 (27) ◽  
pp. 17838-17843 ◽  
Author(s):  
Kenta Fujii ◽  
Shinji Kohara ◽  
Yasuhiro Umebayashi

A new function, SQpeak(r); a connection between low-Q peak intensity with real space structure.


2014 ◽  
Vol 30 (S1) ◽  
pp. S2-S8 ◽  
Author(s):  
Andrea Bernasconi ◽  
Jonathan Wright ◽  
Nicholas Harker

ID11 is a multi-purpose high-energy beamline at the European Synchrotron Radiation Facility (ESRF). Owing to the high-energy X-ray source (up to 140 keV) and flexible, high-precision sample mounting which allows small sample–detector distances to be achieved, experiments such as total scattering in transmission geometry are possible. This permits the exploration of a wide Q range and so provides high real-space resolution. A range of samples (glasses and crystalline powders) have been measured at 78 keV, first putting the detector as close as possible to the sample (~10 cm), and then moving it vertically and laterally with respect to the beam in order to have circular and quarter circle sections of diffraction rings, with consequent QMAX at the edge of the detector of about 16 and 28 Å−1, respectively. Data were integrated using FIT2D, and then normalized and corrected with PDFgetX3. Results have been compared to see the effects of Q-range and counting statistics on the atomic pair distribution functions of the different samples. A Q of at least 20 Å−1 was essential to have sufficient real-space resolution for both type of samples while statistics appeared more important for glass samples rather than for crystalline samples.


2008 ◽  
Vol 41 (47) ◽  
pp. 475207 ◽  
Author(s):  
Mahir S Hussein ◽  
Weibin Li ◽  
Sebastian Wüster

2019 ◽  
Vol 33 (33) ◽  
pp. 1950410 ◽  
Author(s):  
Ahmad S. Masadeh ◽  
Moneeb T. M. Shatnawi ◽  
Ghosoun Adawi ◽  
Yang Ren

The crystal structure of zinc metal deviates from the ideal hexagonal close packing structure by a significantly increased axial ratio (c/a). The local atomic structure of zinc metal is investigated using the total scattering atomic pair distribution function (PDF) analysis based on X-ray powder diffraction data collected at ambient conditions. The X-ray total scattering PDF analysis confirms that the crystal structure of zinc can be described in terms of wurtzite structure, but with an anomalously atomic displacement parameters [Formula: see text], indicating a significant displacement disorder along the [Formula: see text]-axis. For the long [Formula: see text]-range PDF refinements, the thermal motion of zinc shows a notable anisotropy as expressed by the ratio [Formula: see text]/[Formula: see text] of 2.5 at ambient conditions. This average distortion level along the [Formula: see text]-axis, was not reflected locally for the features below 5.0 Å as it fits the high [Formula: see text] region. Based on PDF refinements over different [Formula: see text]-ranges, we measure an interesting increase of the [Formula: see text] value with decreasing the [Formula: see text]-range of the refinement. This suggests that the local structure features in zinc metal differ from the average structure ones.


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