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Insights of \(\hbox {XPt}_2\) (\(\hbox {X}=\hbox {Eu}\) and Gd) intermetallic systems: An ab-initio approach

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Abstract

Rare earth (RE)-based \(\hbox {MgCu}_2\)-type intermetallic compounds are studied by first-principles calculations to search their spintronic applications and thermodynamic stability. We found in our observations that both \(\hbox {EuPt}_2\) and \(\hbox {GdPt}_2\) have half-metallic properties. The band gap arises in spin-down channel which is found to be enhanced when we move from \(\hbox {EuPt}_2\) (0.91 eV) to \(\hbox {GdPt}_2\) (1.04 eV). From magnetic properties we got to know that the magnetic moments of RE and Pt are opposite in direction and total magnetic moment is found to be \(7.01\,\mu _{\mathrm {B}}\) and 4.1 \(\mu _{\mathrm {B}}\) for \(\hbox {EuPt}_2\) and \(\hbox {GdPt}_2\) respectively. Presence of 5\(d^1\) electron in Gd valance shell is the reason for this difference in magnetic moments. No negative frequency has been observed in the phonon dispersion curve of both systems indicating the dynamic stability of \(\hbox {MgCu}_2\)-type structure. Several thermodynamical potentials are also explored in the present study using quasiharmonic approximation. The half-metallicity of dynamically stable \(\hbox {REPt}_2\) systems is appropriate for spintronic applications.

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Acknowledgements

The authors highly acknowledge the Department of Science and Technology (DST), New Delhi, India for providing financial assistance in this research work.

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Authors and Affiliations

  1. Department of Physics, Government P.G. College, Tikamgarh, 472 001, India

    Azad A Mansoori

  2. Department of Physics, Indian Institute of Science Education and Research, Pune, 411 008, India

    Amreen Bano

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  1. Azad A Mansoori
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  2. Amreen Bano
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Correspondence to Amreen Bano.

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Mansoori, A.A., Bano, A. Insights of \(\hbox {XPt}_2\) (\(\hbox {X}=\hbox {Eu}\) and Gd) intermetallic systems: An ab-initio approach. Pramana - J Phys 95, 81 (2021). https://doi.org/10.1007/s12043-021-02110-3

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  • DOI: https://doi.org/10.1007/s12043-021-02110-3

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