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Structural, Elastic, Electronic, and Magnetic Properties of XPtBi (X=Er and Ho) Using FP-LAPW Method

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Abstract

In this work, first-principles calculations of the structural, elastic, electronic, and magnetic properties of Half-Heusler ErPtBi and HoPtBi compounds are presented. We have applied the full-potential linearized augmented plane waves (FP- LAPW) method based on the density functional theory (DFT). For the exchange and correlation potential, the generalized-gradient approximations GGA (PBE96, WC, and PBEsol) are used. The results obtained for density of states and band structures reveal that our compounds have a metallic character. Structural properties show that ErPtBi and HoPtBi are stable in type (III) structure and the both compounds are a ferromagnetic state at optimized lattice constants.

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Authors and Affiliations

  1. Faculty of Science, Belhadj Bouchaib University of Ain Temouchent, BP 284, 46000, Ain Temouchent, Algeria

    Amina Touia, Chaima Khobzaoui & Maroua Benkhaled

  2. Materials Science and Applications Laboratory, Faculty of Science, Belhadj Bouchaib University of Ain Temouchent, BP 284, 46000, Ain-Temouchent, Algeria

    Amina Touia

  3. Faculty of Technology, Hassiba Benbouali University of Chlef, No 19 02000, Chlef, Algeria

    Meriem Fodil

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  1. Amina Touia
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  2. Chaima Khobzaoui
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  4. Meriem Fodil
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Correspondence to Amina Touia.

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Touia, A., Khobzaoui, C., Benkhaled, M. et al. Structural, Elastic, Electronic, and Magnetic Properties of XPtBi (X=Er and Ho) Using FP-LAPW Method. J Supercond Nov Magn 34, 1865–1873 (2021). https://doi.org/10.1007/s10948-021-05888-w

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