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Compositional variation of magnetic moment, magnetic anisotropy energy and coercivity in Fe(1−x)M x (M = Co/Ni) nanowires: an ab initio study

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TLDR
In this paper, the magnetic and electronic properties of freestanding Fe(1−x)M −Co/Ni nanowires were investigated using ab initio simulations, and the magnetic anisotropy energy of the nanowire was observed to change sign with the increase of Co and Ni content.
Abstract
Ab initio simulations are used to investigate the magnetic and electronic properties of freestanding Fe(1−x)M x (M = Co/Ni) nanowires. The stability of the nanowires increases with Co (Ni) addition, as seen from the increase in cohesive energy. With the addition of Co (Ni), the average magnetic moment shows a monotonic decrease, in contrast to the Slater–Pauling behavior observed in bulk Fe–Co/Ni alloys. The magnetic anisotropy energy of the nanowire is observed to change sign, from a parallel alignment of spins along the wire axis, to a perpendicular alignment with the increase of Co and Ni content. The magnetic anisotropy energy variation is seen to be correlated with the orbital moment anisotropy. The coercivity, as calculated using the Jacobs–Bean model is observed to decrease with Co (Ni) addition to the nanowire.

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Journal ArticleDOI

Defect-impurity complex induced long-range ferromagnetism in GaN nanowires

TL;DR: In this article, structural, electronic and magnetic properties of Gd doped wurtzite GaN nanowires (NWs) oriented along the [0001] direction in presence of intrinsic defects by employing the GGA + U approximation.
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Defect-impurity complex induced long-range ferromagnetism in GaN nanowires

TL;DR: In this article, structural, electronic and magnetic properties of wurtzite (0001) GaN nanowires (NWs) doped with Gd and point defects were investigated by employing the GGA+U approximation.
Journal ArticleDOI

Ab initio study of electronic structure and enhancement of magnetocrystalline anisotropy in MnFe2O4 for permanent magnet application

TL;DR: In this paper, the electronic and magnetic properties of MnFe2O4 and the effect of Ca and Zn substitutions on half of the tetrahedral sites in terms of density functional theory calculations are presented.
Journal ArticleDOI

Correlating C=C, C=O and C=N Hydrogenation Activity with Hydrogen Binding Energies on Ni-Fe Bimetallic Catalysts

TL;DR: Ni-Fe bimetallic catalysts have been found to be active in various hydrogenation reactions as discussed by the authors, and many explanations have been proposed to demonstrate the promotion effect of Fe.
References
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Journal ArticleDOI

Structure and magnetic properties of Fe1-xCox nanowires in self-assembled arrays

TL;DR: The National Outstanding Youth Science Foundation of China (NEYSF) as mentioned in this paper [50825101] and National Natural Science Foundation (NNF) [50671087]
Journal ArticleDOI

Systematic ab initio study of the magnetic and electronic properties of all 3d transition metal linear and zigzag nanowires

TL;DR: The magnetic and electronic properties of all linear and zigzag atomic chains of all $3d$ transition metals have been calculated within density functional theory with the generalized gradient approximation as discussed by the authors.
Journal ArticleDOI

High magnetic moments and anisotropies for FexCo1 - x monolayers on Pt(111)

TL;DR: In this paper, the magnetism of 1-ML-thick films of FexCo1x on Pt111 was investigated both experimentally, by x-ray magnetic circular dichroism and magneto-optical Kerr effect measurements, and theoretically, by first-principles electronic structure calculations, as a function of the film chemical composition.
Journal ArticleDOI

A study of magnetic properties: FexCo1−x alloy nanowire arrays

TL;DR: The magnetic properties of FexCo1−x nanowire arrays showed strong magnetic anisotropy, whose easy axis was parallel to the nanowires, and the change in coercivity and squareness of all samples was discussed in detail.
Journal ArticleDOI

Magnetic properties of finite Fe chains at fcc Cu(001) and Cu(111) surfaces

TL;DR: In this paper, the magnetic moments and magnetocrystalline anisotropy of finite monoatomic Fe n (1≤n≤9) chains were calculated using the Korringa-Kohn-Rostoker method.
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