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Specific features of the formation of oxygen defects in the SrFeO2.5 ferrate with a brownmillerite structure

  • Defects, Dislocations, and Physics of Strength
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Abstract

The electronic structure and chemical bonding in the Sr2Fe2O5 strontium ferrate are investigated in the framework of the ab initio linear-muffin-tin-orbital tight-binding representation and extended Hükcel calculations. Models of defect formation (oxygen vacancies and anti-Frenkel defects) in the brownmillerite structure are considered. A model of ion transfer in strontium ferrate is proposed reasoning from the results of the calculations.

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Authors and Affiliations

  1. Institute of Solid-State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaiskaya ul. 91, Yekaterinburg, 620219, Russia

    V. M. Zainullina, I. A. Leonidov & V. L. Kozhevnikov

Authors
  1. V. M. Zainullina
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  2. I. A. Leonidov
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  3. V. L. Kozhevnikov
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__________

Translated from Fizika Tverdogo Tela, Vol. 44, No. 11, 2002, pp. 1970–1973.

Original Russian Text Copyright © 2002 by Zainullina, Leonidov, Kozhevnikov.

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Zainullina, V.M., Leonidov, I.A. & Kozhevnikov, V.L. Specific features of the formation of oxygen defects in the SrFeO2.5 ferrate with a brownmillerite structure. Phys. Solid State 44, 2063–2066 (2002). https://doi.org/10.1134/1.1521456

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  • DOI: https://doi.org/10.1134/1.1521456

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