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<p>In this study of Fe<sub>2-x</sub>Co<sub>x</sub>MnAl Heusler alloys, we analysed several key properties such as electronic, magnetic and optical properties including the formation energy, electronic energy band gap, magnetic moment and spin polarization (SP). These properties were studied to understand the half-metallic stability as the lattice parameter changed. The alloys consistently maintained the total magnetic moments (M<sub>Total</sub>) predicted by the Slater-Pauling rule (SPR), with values of 2.0 μ<sub>B</sub> for x = 0.0, 2.5 μ<sub>B</sub> for x = 0.5, 3.0 μ<sub>B</sub> for x = 1.0, 3.5 μ<sub>B</sub> for x = 1.5, and 4.0 μ<sub>B</sub> for x = 2.0, across a wide range of lattice variations. Value of SP was observed 100% with half-metallic ferromagnetic (HMF) behaviour within specific lattice ranges for x = 0.5, this behaviour was observed between 5.40–5.70&#xa0;Å; for x = 1.0, it was seen between 5.35–5.55&#xa0;Å; for x = 1.5, the range was 5.30–5.60&#xa0;Å; for x = 2.0, it occurred between 5.25–5.55&#xa0;Å. Their ability to maintain a stable half-metallic character over a broad spectrum of lattice parameters also makes them strong candidates for applications in spintronics based devices. Optical characteristics of the Fe<sub>2-<i>x</i></sub>Co<sub><i>x</i></sub>MnAl (<i>x</i> = 0 to 2) alloys are investigated in terms of optical Reflectivity R(ω), optical conductivity σ(ω), Energy loss L(ω), Absorption coefficient I(ω), real and imaginary parts of the dielectric function (i.e. ε<sub>1</sub>(ω) and ε<sub>2</sub>(ω) respectively), refractive index n(ω) and extinction coefficient K(ω) provided these materials for applicable in making solar cells and optical switches in photovoltaic device applications.</p>

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Effect of Cobalt Addition on Magnetism, Spin Polarization and Optical Properties of Fe2-xCoxMnAl Heusler Alloy for Spintronics and Photovoltaic Device Applications

  • 期刊论文

  • 发表日期：

    2026年5月14日

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  • Ashok Yadav,
  • Vivek Kumar Jain

摘要

In this study of Fe2-xCoxMnAl Heusler alloys, we analysed several key properties such as electronic, magnetic and optical properties including the formation energy, electronic energy band gap, magnetic moment and spin polarization (SP). These properties were studied to understand the half-metallic stability as the lattice parameter changed. The alloys consistently maintained the total magnetic moments (MTotal) predicted by the Slater-Pauling rule (SPR), with values of 2.0 μB for x = 0.0, 2.5 μB for x = 0.5, 3.0 μB for x = 1.0, 3.5 μB for x = 1.5, and 4.0 μB for x = 2.0, across a wide range of lattice variations. Value of SP was observed 100% with half-metallic ferromagnetic (HMF) behaviour within specific lattice ranges for x = 0.5, this behaviour was observed between 5.40–5.70 Å; for x = 1.0, it was seen between 5.35–5.55 Å; for x = 1.5, the range was 5.30–5.60 Å; for x = 2.0, it occurred between 5.25–5.55 Å. Their ability to maintain a stable half-metallic character over a broad spectrum of lattice parameters also makes them strong candidates for applications in spintronics based devices. Optical characteristics of the Fe2-xCoxMnAl (x = 0 to 2) alloys are investigated in terms of optical Reflectivity R(ω), optical conductivity σ(ω), Energy loss L(ω), Absorption coefficient I(ω), real and imaginary parts of the dielectric function (i.e. ε1(ω) and ε2(ω) respectively), refractive index n(ω) and extinction coefficient K(ω) provided these materials for applicable in making solar cells and optical switches in photovoltaic device applications.