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Investigation of structural, elastic, electronic, and magnetic proprieties for X2LuSb (X = Mn and Ir) full-Heusler alloys

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Abstract

A study on the structural, elastic, electronic, and magnetic properties of full-Heusler X2LuSb (X = Mn and Ir) compounds by using the first principle calculations within generalized gradient approximation Perdew, Burke, and Ernzerhof GGA-PBE for electron exchange and correlation is reported. The GGA + U approximation is utilised to determine the effect of the Hubbard correction on the magnetic and electronic properties. According to the results obtained for the structural properties, our compounds are stable in the regular structure and ferromagnetic states. The elastic properties have shown the conformity of elastic constants with the stability criteria and the ductile nature of the compounds. This mechanical stability is preserved over the interval, 0–50 GPa. The using of GGA and GGA + U approximations has shown the effect of Hubbard correction applied to the two atoms Mn and Ir on the variation of their magnetic moment.

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Authors and Affiliations

  1. Laboratory of Physical Chemistry of Advanced Materials (LPCMA), University of Djillali Liabes, BP 89, 22000, Sidi-Bel-Abbes, Algeria

    Laroussi Samia, Fadila Belkharroubi, Ameri Ibrahim, Blaha Farah Lamia & Ameri Mohammed

  2. Department of Engineering Physics, Faculty of Physics, Laboratory of Analysis and Application of Radiations (LAAR), University of Science and Technology of Oran Mohamed Boudiaf (USTO-MB), 1505 El Menouar 31000, Oran, Algeria

    Fadila Belkharroubi, Asma Saim & Ahmed Maizia

  3. Engineering Department, American University of Iraq-Sulaimani, P.O.Box 46001, Sulaimani, Kurdistan, Iraq

    Y. Al-Douri

  4. Department of Mechatronics Engineering, Faculty of Engineering and Natural Sciences, Bahcesehir University, 34349, Besiktas, Istanbul, Turkey

    Y. Al-Douri

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  1. Laroussi Samia
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Samia, L., Belkharroubi, F., Ibrahim, A. et al. Investigation of structural, elastic, electronic, and magnetic proprieties for X2LuSb (X = Mn and Ir) full-Heusler alloys. emergent mater. 5, 537–551 (2022). https://doi.org/10.1007/s42247-022-00374-y

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  • DOI: https://doi.org/10.1007/s42247-022-00374-y

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