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The influence of oxygen deficiency on structural and electronic properties of layered superconductor (Fe2As2)(Sr4V2O6−x )

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Abstract

By means of the first-principles FLAPW-GGA approach, we studied the influence of oxygen deficiency on the structural and electronic properties of the superconducting phase (Fe2As2)(Sr4V2O6−x ). We find that the formation of vacancies in 2c sites of oxygen sublattice [when the initial tetragonal structure of the stoichiometric crystal (Fe2As2)(Sr4V2O6) is kept] is energetically more preferable than in 4f sites, when orthorhombic distortions arise. The influence of oxygen vacancies on the structure of (Fe2As2) blocks is very insignificant; thus, using the known structural indicators, it is impossible to explain the observed drop of transition temperature T C for oxygen-deficient systems by structural factors. On the other hand, the results of the band structure calculations allow us to assert that the vacancy-induced drop of T C may be caused by the electronic factor, i.e., by the established decrease in Ntot(E F) for the oxygen-deficient system.

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Acknowledgement

Financial support from the RFBR (Grant 10-03-96008) is gratefully acknowledged.

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Authors and Affiliations

  1. Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, Ekaterinburg, Russia, 620990

    D. V. Suetin, I. R. Shein & A. L. Ivanovskii

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  1. D. V. Suetin
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  2. I. R. Shein
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  3. A. L. Ivanovskii
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Correspondence to A. L. Ivanovskii.

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Suetin, D.V., Shein, I.R. & Ivanovskii, A.L. The influence of oxygen deficiency on structural and electronic properties of layered superconductor (Fe2As2)(Sr4V2O6−x ). J Mater Sci 47, 3663–3668 (2012). https://doi.org/10.1007/s10853-011-6214-0

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  • DOI: https://doi.org/10.1007/s10853-011-6214-0

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