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Amplitudes and phases of electron scattering in polyatomic systems for the structural analysis of disordered, amorphous, and nanosized materials via EXAFS spectroscopy

  • Proceedings of the International Symposium “Ordering in Minerals and Alloys” OMA-18 and Chairman of the Organizing Committee of the International Symposium “Order, Disorder, and the Properties of Oxides” ODPO-18
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Bulletin of the Russian Academy of Sciences: Physics Aims and scope

Abstract

The results from developing and testing a software package for calculating the amplitudes and phases of electron scattering in polyatomic systems are presented. The potential with which an excited electron moves in a medium is constructed using the muffin-tin approximation with Hartree–Fock exchange interaction. Tests of the package for metals, oxides, and iron-bearing water sulphate solutions show that structural parameters can be derived with high degrees of accuracy (the error for interatomic distances is ~0.01 Å; for coordination numbers, it is ~7%). Using the developed approach and software, analysis of the Ag K-EXAFS spectra of silver nanoparticles in silica glass allow us to determine the average structural parameters of Ag–O and Ag–Ag bonds.

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Authors and Affiliations

  1. Faculty of Physics, Southern Federal University, Rostov-on-Don, 344090, Russia

    L. A. Avakyan, N. V. Bulat, K. A. Yablunovski & L. A. Bugaev

Authors
  1. L. A. Avakyan
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  2. N. V. Bulat
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  3. K. A. Yablunovski
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  4. L. A. Bugaev
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Corresponding author

Correspondence to L. A. Avakyan.

Additional information

Original Russian Text © L.A. Avakyan, N.V. Bulat, K.A. Yablunovski, L.A. Bugaev, 2016, published in Izvestiya Rossiiskoi Akademii Nauk, Seriya Fizicheskaya, 2016, Vol. 80, No. 11, pp. 1522–1524.

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Avakyan, L.A., Bulat, N.V., Yablunovski, K.A. et al. Amplitudes and phases of electron scattering in polyatomic systems for the structural analysis of disordered, amorphous, and nanosized materials via EXAFS spectroscopy. Bull. Russ. Acad. Sci. Phys. 80, 1347–1349 (2016). https://doi.org/10.3103/S1062873816110125

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  • DOI: https://doi.org/10.3103/S1062873816110125

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