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The role of the dopants and oxygen vacancies in the magnetic response of Fe-doped and (Fe, Sn) co-doped SrTiO3 perovskite oxide

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Abstract

In this work we present a combined theoretical and experimental study of the structural, magnetic, and hyperfine properties of Fe doped and (Fe, Sn) co-doped SrTiO3 perovskite (STO). 57Fe-Mössbauer spectroscopy (57Fe-MS) was employed to determine the hyperfine interactions at the Fe sites of doped STO for different Fe and Sn concentrations. The theoretical study was performed in the framework of the Density Functional Theory (DFT) using the full-potential linearized augmented plane wave (FP-LAPW) method. The effect of the oxygen vacancies on the magnetic and hyperfine properties and on the magnetic alignment of Fe and Sn impurities was studied. The combination of the DFT calculations, considering different structural models for doped-STO, and 57Fe-MS enable us to obtain a structural characterization of Fe-doped and (Fe, Sn) co-doped STO and to explain the origin of the observed hyperfine interactions and the magnetic signal.

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Funding

Grant nos. PIP0751 CONICET.

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Authors and Affiliations

  1. Departamento de Física − Facultad de Ciencias Exactas, UNLP, Instituto de Física La Plata, CCT-La Plata, CONICET, CC 67, 1900, La Plata, Argentina

    Azucena M. Mudarra Navarro, Claudia E. Rodríguez Torres & Leonardo Errico

  2. Universidad Nacional del Noroeste de la Pcia. de Buenos Aires (UNNOBA), Monteagudo 2772, Pergamino, CP 2700, Buenos Aires, Argentina

    Azucena M. Mudarra Navarro & Leonardo Errico

  3. Radioisotopes Research Laboratory, Tokyo Medical University, Shinjuku 6- 1-1, Shinjuku-ku, Tokyo, 162-8402, Japan

    Kiyoshi Nomura & Masashi Takahashi

Authors
  1. Azucena M. Mudarra Navarro
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  2. Claudia E. Rodríguez Torres
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  3. Kiyoshi Nomura
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  4. Masashi Takahashi
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  5. Leonardo Errico
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Contributions

A. N. and L. E. performed ab-initio calculations. K. N. and M. T. carried out experimental measurements. C. T. and M. T. prepared figures. A. N., C. T., K. N. and L. E. wrote the main manuscript. All authors has been reviewed the manuscript.

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Correspondence to Azucena M. Mudarra Navarro or Kiyoshi Nomura.

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Navarro, A.M.M., Torres, C.E.R., Nomura, K. et al. The role of the dopants and oxygen vacancies in the magnetic response of Fe-doped and (Fe, Sn) co-doped SrTiO3 perovskite oxide. Hyperfine Interact 245, 21 (2024). https://doi.org/10.1007/s10751-024-01850-z

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