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A comparative study on the structural, electronic, and magnetic properties of the cubic Sr-based perovskite SrXO3(X = Mn, Sn, Cr): DFT calculation

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Abstract

In this work, we report detailed calculations on the structural, electronic, and magnetic properties of the SrSnO3, SrMnO3, and SrCrO3 using the full-potential linearized augmented plane-wave (FP-LAPW) method implemented in the WIEN2K code. The three materials share the computing of the structural and the electronic properties; however, the magnetic properties were calculated only for both SrMnO3 and SrCrO3 where the SrSnO3 is a non-magnetic material. Furthermore, our results are in good agreement with the available experimental data showing a little error difference on the structural parameters close to 0.04, 0.03, and 0.04 for the SrMnO3, SrCrO3, and the SrSnO3, respectively.

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Authors and Affiliations

  1. LNCTS Laboratory, Department of Physics, Faculty of Sciences, Badji Mokhtar University, Annaba, Algeria

    O. Ramdane, M. Labidi & S. Labidi

  2. National Higher School of Technology and Engineering-Annaba, Annaba, Algeria

    M. Labidi

  3. Laboratory of Solid Physics, Faculty of Sciences Dhar El Mahraz, Sidi Mohamed Ben Abdellah University, BP 1796, Fez, Morocco

    R. Masrour

Authors
  1. O. Ramdane
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  2. M. Labidi
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  3. S. Labidi
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  4. R. Masrour
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Ramdane, O., Labidi, M., Labidi, S. et al. A comparative study on the structural, electronic, and magnetic properties of the cubic Sr-based perovskite SrXO3(X = Mn, Sn, Cr): DFT calculation. J. Korean Ceram. Soc. (2024). https://doi.org/10.1007/s43207-024-00397-7

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  • DOI: https://doi.org/10.1007/s43207-024-00397-7

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