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Abstract <p>Using a combined density functional theory and Monte Carlo approach, we systematically investigated the effect of copper doping on the magnetic and magnetocaloric properties of Fe<sub>50 – <i>x</i></sub>Cu<sub><i>x</i></sub>Ni<sub>25</sub>Ti<sub>25</sub> (<i>x</i>&#xa0;= 0–18.75 at %) alloys. The inverse cubic structure with ferromagnetic ordering was found to be energetically favorable. Exchange interaction analysis revealed a strong ferromagnetic coupling (31.5 meV) in the first coordination sphere between iron atoms located in nonequivalent positions, with copper doping it enhances to 34.4 meV at 12.5 at % Cu. Cu addition reduces the total magnetic moment, Curie temperature, isothermal magnetic entropy and adiabatic temperature changes, Δ<i>S</i><sub>mag</sub> and Δ<i>T</i><sub>ad</sub>. The parent compound Fe<sub>50</sub>Ni<sub>25</sub>Ti<sub>25</sub> exhibits the highest <i>T</i><sub>C</sub> = 700 K and the maximum Δ<i>S</i><sub>mag</sub> = –0.25 J kg<sup>–1</sup> K<sup>–1</sup>. Alloying with copper leads to a decrease in Δ<i>T</i><sub>ad</sub> by 7 times and Δ<i>S</i><sub>mag</sub> by 10 times compared to the undoped alloy.</p>

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Study of Magnetic and Magnetocaloric Properties of Fe50 – xCuxNi25Ti25 Alloys

  • 期刊论文

  • 发表日期：

    2025年9月1日

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  • M. V. Matyunina,
  • V. V. Sokolovskiy,
  • V. D. Buchelnikov

摘要

Abstract

Using a combined density functional theory and Monte Carlo approach, we systematically investigated the effect of copper doping on the magnetic and magnetocaloric properties of Fe50 – xCuxNi25Ti25 (x = 0–18.75 at %) alloys. The inverse cubic structure with ferromagnetic ordering was found to be energetically favorable. Exchange interaction analysis revealed a strong ferromagnetic coupling (31.5 meV) in the first coordination sphere between iron atoms located in nonequivalent positions, with copper doping it enhances to 34.4 meV at 12.5 at % Cu. Cu addition reduces the total magnetic moment, Curie temperature, isothermal magnetic entropy and adiabatic temperature changes, ΔSmag and ΔTad. The parent compound Fe50Ni25Ti25 exhibits the highest TC = 700 K and the maximum ΔSmag = –0.25 J kg–1 K–1. Alloying with copper leads to a decrease in ΔTad by 7 times and ΔSmag by 10 times compared to the undoped alloy.