On the Method of Constructing the Radial Distribution Function in the Structure of Amorphous Materials on the Basis of Diffraction Data
- Authors: Vasin O.I.1, Kuligin A.K.2, Novikova V.V.2, Avilov A.S.2
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Affiliations:
- Krasnodar Higher Military School Named after General of Army S.M. Shtemenko
- Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,” Russian Academy of Sciences
- Issue: Vol 64, No 5 (2019)
- Pages: 743-749
- Section: Structure of Inorganic Compounds
- URL: https://journals.rcsi.science/1063-7745/article/view/194191
- DOI: https://doi.org/10.1134/S1063774519050249
- ID: 194191
Cite item
Abstract
The method of constructing the radial distribution function, proposed by the authors previously, has been developed. The method includes calculation of the normalization factor and subtraction of the background caused by incoherent scattering in the amorphous material. Software is developed based on the proposed algorithms. The reported technique for processing the angular dependence of the scattered radiation intensity is approved on well-studied amorphous germanium and tungsten trioxide WO3. This technique makes it possible to perform a reliable (accurate to few percent) normalization of intensity and determine the coordination number n1 for an arbitrarily specified density of material, independent of the shape of the first coordination peak. In sum, a universal software tool has been elaborated, which makes it possible to investigate the structure of amorphous and polycrystalline inorganic materials by constructing the radial distribution functions, using diffraction of radiation of any type in these materials. All calculations are performed in the automatic mode.
About the authors
O. I. Vasin
Krasnodar Higher Military School Named after General of Army S.M. Shtemenko
Email: avilovanatoly@mail.ru
Russian Federation, Krasnodar, 350063
A. K. Kuligin
Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of Sciences
Email: avilovanatoly@mail.ru
Russian Federation, Moscow, 119333
V. V. Novikova
Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of Sciences
Email: avilovanatoly@mail.ru
Russian Federation, Moscow, 119333
A. S. Avilov
Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics,”Russian Academy of Sciences
Author for correspondence.
Email: avilovanatoly@mail.ru
Russian Federation, Moscow, 119333