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<p>In this contribution, we present an ab initio investigation of the electronic and magnetic properties of some RhCo-based quaternary Heusler alloys (QH). QH compounds can be generated from doping the X<sub>2</sub>YZ full Heusler alloys; in this case, we start our study by tracking the electronic and magnetic properties variation of cobalt-doped Rh<sub>2</sub>MnSn. Our results reveal that Co-substitution at Rh sites of Rh<sub>2−<i>x</i></sub>Co<sub><i>x</i></sub>MnSn (<i>x</i> = 0 to 2) transforms it into half-metallic material when <i>x</i> ≥ 1. The calculated magnetic moment is 4.68<i>µ</i><sub><i>B</i></sub> for Rh<sub>2</sub>MnSn (<i>x</i> = 0), this value will increase with Co doping to be an integer 5 <i>µ</i><sub><i>B</i></sub> when <i>x</i> ≥ 1 obeys the Slater Pauling behavior. The spin polarization at the Fermi level varied from 20.76 to 100%. The Curie temperature (<i>Tc</i>) and exchange interaction are largely dependent on the valence electron number (<i>Nv</i>); for this purpose, we also identify some other quaternary RhCoMnZ (Z = Al, Si, Ga, Ge, Sn, Sb) compounds with different <i>Nv</i>. The exchange parameters (<i>j</i><sub><i>ij</i></sub>) and <i>Tc</i> are calculated using the LMTO method. The <i>Tc</i> is calculated with the mean-field approximation (<i>MFA</i>), and the results indicate that all compounds investigated have <i>Tc</i> evidently higher than room temperature making them promising candidates for spintronics applications. The latter results are in better agreement with available experimental and theoretical data.</p>

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First-Principles Investigation of the Electronic and Magnetic Properties of RhCo-Based Quaternary Heusler Alloys

  • 期刊论文

  • 发表日期：

    2025年1月6日

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  • R. Nourine,
  • S. Abbaoui,
  • M. Caid,
  • H. Rached,
  • D. Rached,
  • Y. Rached,
  • Nada Talal Mahmoud,
  • S. Al-Qaisi

摘要

In this contribution, we present an ab initio investigation of the electronic and magnetic properties of some RhCo-based quaternary Heusler alloys (QH). QH compounds can be generated from doping the X2YZ full Heusler alloys; in this case, we start our study by tracking the electronic and magnetic properties variation of cobalt-doped Rh2MnSn. Our results reveal that Co-substitution at Rh sites of Rh2−xCoxMnSn (x = 0 to 2) transforms it into half-metallic material when x ≥ 1. The calculated magnetic moment is 4.68µB for Rh2MnSn (x = 0), this value will increase with Co doping to be an integer 5 µB when x ≥ 1 obeys the Slater Pauling behavior. The spin polarization at the Fermi level varied from 20.76 to 100%. The Curie temperature (Tc) and exchange interaction are largely dependent on the valence electron number (Nv); for this purpose, we also identify some other quaternary RhCoMnZ (Z = Al, Si, Ga, Ge, Sn, Sb) compounds with different Nv. The exchange parameters (jij) and Tc are calculated using the LMTO method. The Tc is calculated with the mean-field approximation (MFA), and the results indicate that all compounds investigated have Tc evidently higher than room temperature making them promising candidates for spintronics applications. The latter results are in better agreement with available experimental and theoretical data.