Journal of Physical Studies 24(4), Article 4702 [6 pages] (2020)
DOI: https://doi.org/10.30970/jps.24.4702 ELECTRONIC STRUCTURE AND X-RAY SPECTRA OF THE Ce2ScSi2 COMPOUNDI. D. Shcherba1 , V. N. Antonov2 , D. Uskokovic3 , L. V. Bekenov2 , H. Noga4 , M. V. Kovalska1 , Z. M. Shpyrka1 , V. A. Denys1
1Ivan Franko National University of Lviv,
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X-ray absorption spectrum at the $L_{3}$ edge of Ce and X-ray emission spectra at the $K$ and $L_{2,3}$ edges of Si in the mixed-valence compound Ce$_{2}$ScSi$_{2}$ with the crystal structure of its own type have been studied experimentally and within the framework of the density functional theory with an additional Hubbard-like term (DFT+U). Good agreement between the theory and the experiment was found. Both the trivalent and the quadrivalent Ce ions in Ce$_{2}$ScSi$_{2}$ are reflected in the experimentally measured Ce $L_{3}$ X-ray absorption spectrum, simultaneously. We have found that the valence of cerium in Ce$_{2}$ScSi$_{2}$ corresponds to approximately 92\
Key words: X-ray spectra, mixed valence, electronic structure, intermetallides