Mössbauer spectroscopy evidence of intrinsic non-stoichiometry in iron telluride single crystals
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KIIAMOV, A., LYSOGORSKIY, Y., VAGIZOV, F., TAGIROV, Lenar, TAYURSKII, Dmitrii, CROITORI, Dorina, TSURKAN, Vladimir, LOIDL, Alois. Mössbauer spectroscopy evidence of intrinsic non-stoichiometry in iron telluride single crystals. In: Annalen der Physik, 2017, vol. 529, p. 0. ISSN 0003-3804. DOI: https://doi.org/10.1002/andp.201600241
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Annalen der Physik
Volumul 529 / 2017 / ISSN 0003-3804 /ISSNe 1521-3889

Mössbauer spectroscopy evidence of intrinsic non-stoichiometry in iron telluride single crystals

DOI:https://doi.org/10.1002/andp.201600241

Pag. 0-0

Kiiamov A.1, Lysogorskiy Y.1, Vagizov F.1, Tagirov Lenar12, Tayurskii Dmitrii1, Croitori Dorina3, Tsurkan Vladimir34, Loidl Alois4
 
1 Kazan Federal University,
2 Zavoisky Physical Technical Institute of the Russian Academy of Sciences,
3 Institute of Applied Physics, Academy of Sciences of Moldova,
4 University of Augsburg
 
 
Disponibil în IBN: 30 mai 2022


Rezumat

The FeTe parent compound for iron-superconductor chalcogenides was studied applying Mössbauer spectroscopy accompanied by ab initio calculations of electric field gradients at the iron nuclei. Room-temperature (RT) Mössbauer spectra of single crystals have shown asymmetric doublet structure commonly ascribed to contributions of over-stoichiometric iron or impurity phases. Low-temperature Mössbauer spectra of the magnetically ordered compound could be well described by four hyperfine-split sextets, although no other foreign phases different from Fe1.05Te were detected by XRD and microanalysis within the sensitivity limits of the equipment. Density functional ab initio calculations have shown that over-stoichiometric iron atoms significantly affect electron charge and spin density up to the second coordination sphere of the iron sub-lattice, and, as a result, four non-equivalent groups of iron atoms are formed by their local environment. The resulting four-group model consistently describes the angular dependence of the single crystals Mössbauer spectra as well as intensity asymmetry of the doublet absorption lines in powdered samples at RT. We suppose that our approach could be extended to the entire class of Fe1+ySe1-xTex compounds, which contain excess iron atoms. (Figure presented.). 

Cuvinte-cheie
atoms, Calculations, Chalcogenides, Crystal impurities, crystal structure, Electric fields, Inorganic compounds, iron, single crystals, temperature