The Fourier transform in X-ray and electron scattering of hydrogenlike atoms

1991 ◽  
Vol 68 (11) ◽  
pp. 889 ◽  
Author(s):  
Jeffrey A. Foley
Author(s):  
David Blow

In Chapter 4 many two-dimensional examples were shown, in which a diffraction pattern represents the Fourier transform of the scattering object. When a diffracting object is three-dimensional, a new effect arises. In diffraction by a repetitive object, rays are scattered in many directions. Each unit of the lattice scatters, but a diffracted beam arises only if the scattered rays from each unit are all in phase. Otherwise the scattering from one unit is cancelled out by another. In two dimensions, there is always a direction where the scattered rays are in phase for any order of diffraction (just as shown for a one-dimensional scatterer in Fig. 4.1). In three dimensions, it is only possible for all the points of a lattice to scatter in phase if the crystal is correctly oriented in the incident beam. The amplitudes and phases of all the scattered beams from a three-dimensional crystal still provide the Fourier transform of the three-dimensional structure. But when a crystal is at a particular angular orientation to the X-ray beam, the scattering of a monochromatic beam provides only a tiny sample of the total Fourier transform of its structure. In the next section, we are going to find what is needed to allow a diffracted beam to be generated. We shall follow a treatment invented by Lawrence Bragg in 1913. Max von Laue, who discovered X-ray diffraction in 1912, used a different scheme of analysis; and Paul Ewald introduced a new way of looking at it in 1921. These three methods are referred to as the Laue equations, Bragg’s law and the Ewald construction, and they give identical results. All three are described in many crystallographic text books. Bragg’s method is straightforward, understandable, and suffices for present needs. I had heard J.J. Thomson lecture about…X-rays as very short pulses of radiation. I worked out that such pulses…should be reflected at any angle of incidence by the sheets of atoms in the crystal as if these sheets were mirrors.…It remained to explain why certain of the atomic mirrors in the zinc blende [ZnS] crystal reflected more powerfully than others.


1997 ◽  
Vol 30 (24) ◽  
pp. 3296-3300 ◽  
Author(s):  
M Li ◽  
M O Möller ◽  
H R Reß ◽  
W Faschinger ◽  
G Landwehr

2008 ◽  
Vol 63 (10-11) ◽  
pp. 735-738 ◽  
Author(s):  
Yoshihiro Okamoto ◽  
Tsuyoshi Yaita ◽  
Hideaki Shiwaku ◽  
Shinichi Suzuki

The chlorination reaction of Y2O3 with ZrCl4 in LiCl-KCl eutectic melt was investigated by X-ray absorption fine structure (XAFS) technique. The chlorination reaction was observed between 773 K and 823 K as the 1st peak shift of the Fourier transform magnitude function |FT(k3χ(k))|. The peak corresponding to the nearest Y3+-Cl− correlation was observed in the XAFS analysis at 823 K as the result of the chlorination. It was confirmed that the mixture melts after the reaction is almost equivalent to a molten 5% YCl3-(LiCl-KCl eutectic) mixture.


Clay Minerals ◽  
1966 ◽  
Vol 6 (4) ◽  
pp. 261-281 ◽  
Author(s):  
W. F. Cole

AbstractAn interstratified clay mineral from Surges Bay, Tasmania, described by Cole & Carthew (1953) as containing a random stacking of illite and montmorillonite in the ratio of 3:2 and a regular stacking of illite and montmorillonite in the ratio of 1 : 1 is re-examined, after purification, and a new interpretation is made of the X-ray diffraction effects in terms of a single complex stacking model. The Fourier transform method of analysis used with an appropriate layer structure factor shows that the interstratification is produced by a three component stacking of 18% single mica layers (A), 10% double mica layers (ĀĀ) and 72% allevardite-like layers (ĀB̄) in which the A and ĀĀ layers are never together. This leads to the conclusion that the near regular interstratification of the mineral is due to structural and/or compositional variation from layer to layer within the parent crystals as suggested by Sudo, Hayashi & Shimoda (1962) to explain similar mineral types occurring in Japan.


1988 ◽  
Vol 3 (1) ◽  
pp. 32-38 ◽  
Author(s):  
David G. Cameron ◽  
Ernest E. Armstrong

AbstractFourier transform methods of smoothing and interpolation are applied to X-ray diffraction data. It is shown that, frequently, too small a step size is used. Major gains are to be expected by selection of the optimum step size and use of these methods.A comparison of Fourier transforms of diffractograms of quartz measured between 67 and 69° 2θ, collected at varying step intervals (0.1 to 0.01° 2θ) was used to illustrate these applications. By examining the Fourier transform of the diffractogram and noting where it decays to die baseline, a reasonable estimate of the optimal step interval can be obtained. In addition, Fourier interpolation can be used to enhance the appearance of the diffractogram, approximating a continuous plot.


NANO ◽  
2007 ◽  
Vol 02 (02) ◽  
pp. 121-128 ◽  
Author(s):  
ROBERTO MATASSA ◽  
PAOLO BALLIRANO ◽  
MARIA PIA DONZELLO ◽  
CLAUDIO ERCOLANI ◽  
CLAUDIA SADUN ◽  
...  

A new approach of X-ray diffraction was used to investigate the nanostructured μ-Oxo(2) polymorph of μ-oxo-bis(phthalocyaninatoiron(III)), [ PcFe – O – FePc ]. The packing of the dinuclear units was determined by the Rietveld method on Angular Dispersive X-ray Diffraction (ADXD) data, whereas the intramolecular geometry was optimized by Energy Dispersive X-ray Diffraction (EDXD) exploiting the peculiar strength of those techniques. The dimension of the nanoparticles was estimated from the Fourier transform of the EDXD experimental structural function.


Materials ◽  
2022 ◽  
Vol 15 (2) ◽  
pp. 588
Author(s):  
Shingo Machida ◽  
Ken-ichi Katsumata ◽  
Atsuo Yasumori

In this paper, the regioselective reactions of kaolinite and methoxy-modified kaolinite (MeO-Kaol), methanol-expanded kaolinite, with octadecyltrimethylammonium salts are compared. This study mainly concerns the reactions of kaolinite or MeO-Kaol with octadecyltrimethylammonium chloride (C18TAC) in methanol and the subsequent exhaustive washing of the resultant products with ethanol. X-ray diffraction patterns of the products reveal no intercalation of C18TAC between pristine kaolinite layers. Additionally, intercalation and subsequent deintercalation of C18TAC proceed in the product using MeO-Kaol. In the Fourier-transform infrared spectra, the intensities of CH2 stretching bands of the product prepared using MeO-Kaol drastically increase compared to those using kaolinite. In addition, CH2 stretching bands of the product using kaolinite are hardly observed without enlarging the spectrum. The product using MeO-Kaol also displays mass loss in the range of 200–300 °C in the thermogravimetric curve and a nitrogen content with 0.15 mass% estimated using the CHN analysis. These results therefore demonstrate an increase in the available reactive edges in the layered crystal material following an expansion of the stacked layers.


2018 ◽  
Vol 25 (1) ◽  
pp. 241-247 ◽  
Author(s):  
Minas Balyan ◽  
Levon Haroutunyan

A two-block X-ray Fresnel zone plate system forms two-beams – a plane wave and a spherical wave – which interfere at the focal distance of the virtual source of the spherical wave. An object placed in the path of the plane wave forms an object wave and the spherical wave is the reference wave. The recorded intensity distribution is the Fourier transform hologram of the object. Analytical and numerical calculations show the possibilities of this scheme to record the hologram and reconstruct the object image. Examples of recording holograms of a one-dimensional cosine-like grating and a two-dimensional grid object as well as reconstruction of the images are considered.


1981 ◽  
Vol 36 (2) ◽  
pp. 150-153 ◽  
Author(s):  
R. Bek ◽  
E. Nold ◽  
S. Steeb

Abstract Using MoK α-radiation and a θ-θ diffractometer from molten In and Bi as well as six molten Bi-In alloys (8; 22; 27; 33.3; 50; and 77 at % Bi) intensity curves were obtained at 10 °C above the liquidus temperature. The measurements were performed in the q-region up to 14.5 Å-1. From the Fourier transform of the structure factors coordination numbers NItot and radii rItot were obtained. The concentration dependency of NItot and rItot leads to the conclusion, that the Bi-In melts belong to the compound forming melts.


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