Ab initio investigation of the electronic structure, elastic and magnetic properties of quaternary Heusler alloy Cu2MnSn1-xInx (x = 0, 0.25, 0.5, 0.75, 1)

Authors

  • B. Benichou Department of Electronics, Faculty of Technology, Hassiba Benbouali University, Chlef 02000, Algeria.
  • H. Bouchenafa Department of Physics, Faculty of Sciences Exact and Informatics, Hassiba Benbouali University, 02000 Chlef, Algeria
  • Z. Nabi Condensed Matter and Sustainable Development Laboratory, Faculty of Sciences Exact, Djillali Liabès University, Sidi Bel Abbès 22000, Algeria.
  • and B. Bouabdallah Condensed Matter and Sustainable Development Laboratory, Faculty of Sciences Exact, Djillali Liabès University, Sidi Bel Abbès 22000, Algeria.

DOI:

https://doi.org/10.31349/RevMexFis.65.468

Keywords:

ab-initio calculations, quaternary Heusler alloys, electronic structure, elastic and magnetic properties, ferromagnetic.

Abstract

Structural, elastic, electronic and magnetic properties of the quaternary Heusler alloys  are calculated using the full-potential linearized augmented plane wave (FP-LAPW) method in the framework of the density functional theory (DFT) and implemented in WIEN2k code. The exchange-correlation potential is evaluated using the generalized gradient approximation (GGA) within the Perdew-Burke-Ernzerhof (PBE) parameterization. Our theoretically results provide predictions for the mixed  in which no experimental and theoretical data are currently available. The lattice parameter and bulk modulus as well the elastic constants and their related elastic moduli for  have been calculated. Also, the electronic properties including density of states and band structures indicate the metallic character for . Morever, this quaternary Heusler alloy is found to be ferromagnetic, ductile and anisotropic in nature.

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Published

2019-09-02

How to Cite

[1]
B. Benichou, H. Bouchenafa, Z. Nabi, and and B. Bouabdallah, “Ab initio investigation of the electronic structure, elastic and magnetic properties of quaternary Heusler alloy Cu2MnSn1-xInx (x = 0, 0.25, 0.5, 0.75, 1)”, Rev. Mex. Fís., vol. 65, no. 5 Sept-Oct, pp. 468–474, Sep. 2019.

Issue

Vol. 65 No. 5 Sept-Oct (2019): Revista Mexicana de Física

Section

05 Condensed Matter

License

Authors retain copyright and grant the Revista Mexicana de Física right of first publication with the work simultaneously licensed under a CC BY-NC-ND 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.