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Elastic, magnetic and electronic properties of ferrimagnetic double perovskite Sr2MnWO6 using GGA + U and mBJ-GGA

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Abstract

The present work performs self-consistent ab-initio calculation through full-potential linearized augmented plane wave (FP-LAPW) method within the frame work of the spin-polarized density functional theory (DFT), to study the structural, electronic, magnetic and elastic properties of the double perovskite Sr2MnWO6 using generalized gradient approximation (GGA) described by Perdew–Burke–Ernzerhof (PBE), GGA + U and mBJ-GGA. The obtained results show that Sr2WMnO6 is stable in the ferrimagnetic state; the electronic properties show a half-metallic behavior using GGA + U and mBJ-GGA. Elastic properties show that our compound is fragile, stiff and anisotropic.

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Authors and Affiliations

  1. Laboratory of Technology and of Solids Properties, Faculty of Sciences and Technology, Abdelhamid Ibn Badis University, BP227, 27000, Mostaganem, Algeria

    B. Djelti, W. Benstaali, A. Abbad, W. Benosman, Y. Benmalem & S. Cherid

  2. Mustapha Stambouli University, 29000, Mascara, Algeria

    S. Bentata

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  1. B. Djelti
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  2. S. Bentata
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  3. W. Benstaali
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  4. A. Abbad
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  5. W. Benosman
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  6. Y. Benmalem
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  7. S. Cherid
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Correspondence to W. Benstaali.

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Djelti, B., Bentata, S., Benstaali, W. et al. Elastic, magnetic and electronic properties of ferrimagnetic double perovskite Sr2MnWO6 using GGA + U and mBJ-GGA. Appl. Phys. A 124, 622 (2018). https://doi.org/10.1007/s00339-018-2051-1

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  • DOI: https://doi.org/10.1007/s00339-018-2051-1

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