The effects of Cobalt doping on the structural, electronic, magnetic, and thermodynamic characteristics of the L10-FeNi alloy: First-principle calculations

IF 2.1 4区物理与天体物理 Q3 PHYSICS, CONDENSED MATTER

Solid State Communications Pub Date : 2024-11-26 DOI:10.1016/j.ssc.2024.115769

Zineb Zine , Nassima Meftah , Bahmed Daoudi , Faical chemam

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引用次数: 0

Abstract

This study conducts a computational analysis employing density functional theory (DFT) to investigate the effects of Cobalt doping as substitutional defects on the structural, electronic, magnetic, and thermodynamic characteristics of the L

1_{0} -

FeNi alloy. The aim of this study was to explore their potential applications as alternatives to rare-earth permanent magnets. Two types of substitutional Co-doping (O_Ni/O_Fe) in the Ni/Fe-site of the parent alloy have been investigated. The computed formation energy indicates that the incorporation of cobalt defects increases the structural stability of tetragonally distorted L₁₀FeNi via Co-doping. The results we obtained demonstrate that the FeNi:Co (O_Ni) in the L₁₀-structure has a large enhancement in magnetic moments and saturation magnetization (M_s), whereas for the FeNi:Co (O_Fe), has a small reduction in M_s. Furthermore, reducing the concentration of cobalt in L₁₀ FeNi:Co alloys is advantageous in diminishing the volumetric thermal expansion coefficient, consequently lowering the Debye temperature and weakening atom interactions. Therefore, Co-substituted FeNi alloys hold promise as potential candidates for rare-earth-free permanent magnets.

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来源期刊

Solid State Communications 物理-物理：凝聚态物理

CiteScore

3.40

自引率

4.80%

发文量

287

审稿时长

51 days

期刊介绍： Solid State Communications is an international medium for the publication of short communications and original research articles on significant developments in condensed matter science, giving scientists immediate access to important, recently completed work. The journal publishes original experimental and theoretical research on the physical and chemical properties of solids and other condensed systems and also on their preparation. The submission of manuscripts reporting research on the basic physics of materials science and devices, as well as of state-of-the-art microstructures and nanostructures, is encouraged. A coherent quantitative treatment emphasizing new physics is expected rather than a simple accumulation of experimental data. Consistent with these aims, the short communications should be kept concise and short, usually not longer than six printed pages. The number of figures and tables should also be kept to a minimum. Solid State Communications now also welcomes original research articles without length restrictions. The Fast-Track section of Solid State Communications is the venue for very rapid publication of short communications on significant developments in condensed matter science. The goal is to offer the broad condensed matter community quick and immediate access to publish recently completed papers in research areas that are rapidly evolving and in which there are developments with great potential impact.