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The impact of Si substitution on Ge sites in full heusler compound Ru2VGe: stability analysis

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Abstract

This study presents a comprehensive analysis of the stability of Ru2VGe1-xSix for x = [0, 0.25, 0.5, 0.75, 1] compounds using a first-principle full-potential linearized augmented plane wave method implemented in a computational code based on WIEN2k. The article sheds light on the behavior of different concentrations of Si and their impact on the magneto-structural, thermodynamic, and mechanical stability, resulting in the prediction of five compounds with varying magnetism based on their compositions, including Fm-3 m cubic for Ru2VGe and Ru2VSi, Pm-3 m cubic structure for x = 0.25, 0.75, and P4/mmm tetragonal structure for x = 0.5. A tiny energy difference between phases may lead to a low magnetic transition temperature TMFA for all compounds except the tetragonal one, which keeps the antiferromagnetic phase above room temperature. Their formation and cohesive energies prove their stability. A regular solution model was used to investigate the thermodynamic stability of the alloys, revealing a miscibility gap at a composition range of 0.537 ≤ x ≤ 1, with the critical temperature of Tc = 986.24 K at a specific composition of xC = 0.801. The elastic properties showed the compounds are stable against external stresses and deformations with ductility and good thermal conductivity, hardness, and machinability. The anisotropy behavior moves from anisotropic in Ru2VGe to semi-isotropic by Si substitution.

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Authors and Affiliations

  1. Laboratory of Magnetic Materials, University of Sidi Bel Abbès, Djilalli Liabès, Sidi Bel-Abbès, Algeria

    Ikram Medjadji & Nour-Eddine Benkhettou

  2. Laboratory of Electronic Microscopy and Material Sciences, University of Science and Technology of Oran Mohamed Boudiaf, Oran, BP1505, Elmnaouer Oran, Algeria

    Said Hiadsi & Mokhtar Elchikh

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  1. Ikram Medjadji
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  2. Nour-Eddine Benkhettou
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  3. Said Hiadsi
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  4. Mokhtar Elchikh
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Correspondence to Mokhtar Elchikh.

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Medjadji, I., Benkhettou, NE., Hiadsi, S. et al. The impact of Si substitution on Ge sites in full heusler compound Ru2VGe: stability analysis. Indian J Phys (2024). https://doi.org/10.1007/s12648-024-03232-1

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