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Calculations of the Structural, Elastic, and Magnetic Properties of the Novel Full Heusler Alloys Ru2XY with X = Nb, Mn and Y = Te, Sb

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The electronic, elastic, and magnetic properties of the new full Heusler alloys Ru2XY with X = Nb, Mn and Y = Te, Sb are investigated using the Full Potential Nonorthogonal Local-Orbital minimum basis method (FPLO) in the framework of Density Functional Theory (DFT). The calculated magnetic moments of Ru2MnSb and Ru2MnTe compounds are 4.017µB and 4.835µB, respectively. Several mechanical parameters are evaluated including the bulk modulus (B), shear modulus (G), anisotropy factor (A), Young’s modulus (E), and Poison’s ratio (ν). The magnetic properties of these compounds are investigated at high pressures up to nearly 70 GPa. It is noticed that these compounds preserve its metallic and ferromagnetic behavior at different pressures. Ru2MnTe, Ru2NbSb, and Ru2NbTe are hypothetical magnetic compounds.

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Authors and Affiliations

  1. Department of Physics, Faculty of Science, Taibah University, 41411, Al-Madinah al Munawarah, Saudi Arabia

    R. M. Shabara & B. O. Alsobhi

  2. Department of Physics, Faculty of Science, Damietta University, 34511, New Damietta, Egypt

    R. M. Shabara

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  1. R. M. Shabara
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  2. B. O. Alsobhi
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Correspondence to R. M. Shabara or B. O. Alsobhi.

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Shabara, R.M., Alsobhi, B.O. Calculations of the Structural, Elastic, and Magnetic Properties of the Novel Full Heusler Alloys Ru2XY with X = Nb, Mn and Y = Te, Sb. Jetp Lett. 113, 322–330 (2021). https://doi.org/10.1134/S0021364021050015

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  • DOI: https://doi.org/10.1134/S0021364021050015

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