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Article
X-Ray and Mössbauer Spectra and Electronic Structure of ScFe2Si2 Compound
Author(s)
Ivan Shcherba1, 2*, Maria Sacharevych2, Nazar Savyckyj2, Vikor Antonov3 and Bohdan Jatcyk4
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DOI:10.17265/2161-6221/2015.1-2.004
Affiliation(s)
1. Institute of Technology, Pedagogical University, Podchoranzych Str. 2, 30-084 Krakow, Poland 2. Department of X-ray Metal Physics, Ivan Franko National University, Kyryla & Mefodiya Str. 8, 79-005 Lviv, Ukraine 3. Institute of Physics of Metals, NASU, Vernadkyj Str. 36, 52-141 Kyiv, Ukraine 4. Department of Physics, University of Forestry and Wood Technology, 79-009 Lviv, Ukraine
ABSTRACT
The valence band electronic structure of a compound with the HfFe2S2 crystal lattice type has been established for the first time based on X-ray emission spectroscopy measurements. Band structure and theoretical spectra of X-ray emission bands of atoms located in non-equivalent crystallographic positions are calculated by means of the LMTO method in non-relativistic approximation. A satisfactory agreement between theoretical and experimental data is achieved.57Fe Mossbauer absorption measurements confirm iron atoms occupying non-equivalent positions in the crystal lattice.
KEYWORDS
Mossbauer spectroscopy, X-ray spectroscopy, electronic band structure, intermetallics.
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