Email this article Influence of Local Atomic and Electronic Structures of Magnetite on Subtle Effects in HERFD-XANES Spectra
- Authors: Podkovyrina Y.S.1, Kremennaya M.A.1, Soldatov M.A.1, Soldatov A.V.1
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Affiliations:
- The Smart Materials Research Center
- Issue: Vol 59, No 6 (2018)
- Pages: 1362-1367
- Section: Article
- URL: https://journal-vniispk.ru/0022-4766/article/view/161735
- DOI: https://doi.org/10.1134/S002247661806015X
- ID: 161735
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Abstract
Large iron oxide nanoparticles are studied by high-energy resolution fluorescence-detected X-ray absorption spectroscopy (HERFD XANES). A theoretical procedure within the finite-difference method framework is tested to calculate Fe K-edge X-ray absorption spectra for the magnetite structure. The influence of structural and non-structural calculation parameters on the subtle effects in the X-ray absorption spectra are considered. Tetrahedral positions of Fe3+ ions are shown to provide the main contribution to the spectral feature at 20–21 eV whose intensity grows together with the content of these ions.
About the authors
Yu. S. Podkovyrina
The Smart Materials Research Center
Author for correspondence.
Email: podkovyrina@sfedu.ru
Russian Federation, Rostov-on-Don
M. A. Kremennaya
The Smart Materials Research Center
Email: podkovyrina@sfedu.ru
Russian Federation, Rostov-on-Don
M. A. Soldatov
The Smart Materials Research Center
Email: podkovyrina@sfedu.ru
Russian Federation, Rostov-on-Don
A. V. Soldatov
The Smart Materials Research Center
Email: podkovyrina@sfedu.ru
Russian Federation, Rostov-on-Don
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