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Structural, elastic, electronic, and magnetic properties of new quaternary Heusler alloy PdCoMnGa and PdCoMnAl

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Abstract

Half-metallic Heusler alloys are promising materials that present the character to remain essential for spintronics applications. In this paper, we carried out a DFT spin-polarized calculation to accurately predict structural, electronic, and magnetic properties of two new quaternary Heusler alloys; namely, the PdCoMnGa and PdCoMnAl. To this aim, we have used the generalized gradient approximation (GGA + SOC), for the exchange and correlation potentials. The results clearly showed that both structures were structurally stable in the ferromagnetic phase. The investigation of elastic and electronic properties of these alloys indicates the PdCoMn(Ga/Al) are mechanically stable and have half-metallic behavior. The total spin magnetic moments are found close to 5 µB/cell, confirming the half metallicity characteristic for both PdCoMnGa and PdCoMnAl. Further electronic analysis is also given to accurately explain the origin of such properties.

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Authors and Affiliations

  1. Renewable Energy Laboratory and Dynamic Systems, Faculté des Sciences Ain-Chock, Université Hassan II de Casablanca, Casablanca, Morocco

    Hayat Moujri

  2. Center Universitaire Nour Bachir El Bayadh, 32000, El Bayadh, Algeria

    Mohamed Berber & Moued Mebrek

  3. Laboratoire d’Instrumentation et Matériaux Avancés, Center Universitaire Nour Bachir El Bayadh, BP 900, Route Aflou, 32000, El Bayadh, Algeria

    Mohamed Berber & Moued Mebrek

  4. Laboratory of Physico-chemical Studies, University of Saida, Sidon, Algeria

    Abdelkader Boudali

  5. Laboratoire de Physique Théorique, Université de Tlemcen, 13000, Tlemcen, Algeria

    Tarik Ouahrani

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  1. Hayat Moujri
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  2. Mohamed Berber
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  3. Moued Mebrek
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  4. Abdelkader Boudali
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  5. Tarik Ouahrani
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Correspondence to Mohamed Berber.

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Moujri, H., Berber, M., Mebrek, M. et al. Structural, elastic, electronic, and magnetic properties of new quaternary Heusler alloy PdCoMnGa and PdCoMnAl. Indian J Phys 96, 1025–1035 (2022). https://doi.org/10.1007/s12648-021-02024-1

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  • DOI: https://doi.org/10.1007/s12648-021-02024-1

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