Electric Field Gradients of Fluorides Calculated by the Full Potential KKR Green’s Function Method

Ogura, M.; Akai, H.; Minamisono, T.

doi:10.1007/3-540-30924-1_15

Cited by 1 publication

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“…Therefore, we suggest that the increased coercivity is at least partly correlated with an increased intrinsic anisotropy resulting from Cu substitution at the Co 3g sites. A similar suggestion has been made for Y(Co,Cu) 5 , 34 a system which also behaves in thin films similar to the here investigated Sm(Co,Cu) 5 . 18 , 35 To corroborate this hypothesis, we discuss the described DFT-based modeling in Section 3.5 .…”

Section: Results and Discussionsupporting

confidence: 89%

“…Besides, the Cu doping effect on the Co sites can be approximated using YCo 5 as a prototype. It has been reported that the 3 g -site doping of Cu increases the magnetic anisotropy of YCo 5 , 34 while the 2 c - site doping is expected to reduce the magnetic anisotropy due to a larger K 1 of Co 2c than that of Co 3g . In addition, according to our DFT calculations, the 2 c -site doping is slightly energetically favorable by about 7 meV/atom as compared to the 3 g -site doping.…”

Section: Discussionmentioning

confidence: 99%

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Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo_5–xCu_x Thin Films

Gkouzia,

Günzing,

Xie

et al. 2023

Inorg. Chem.

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This work investigates the effect of copper substitution on the magnetic properties of SmCo5 thin films synthesized by molecular beam epitaxy. A series of thin films with varying concentrations of Cu were grown under otherwise identical conditions to disentangle structural and compositional effects on the magnetic behavior. The combined experimental and theoretical studies show that Cu substitution at the Co3g sites not only stabilizes the formation of the SmCo5 structure but also enhances magnetic anisotropy and coercivity. Density functional theory calculations indicate that Sm(Co4Cu3g)5 possesses a higher single-ion anisotropy as compared to pure SmCo5. In addition, X-ray magnetic circular dichroism reveals that Cu substitution causes an increasing decoupling of the Sm 4f and Co 3d moments. Scanning transmission electron microscopy confirms predominantly SmCo5 phase formation and reveals nanoscale inhomogeneities in the Cu and Co distribution. Our study based on thin film model systems and advanced characterization as well as modeling reveals novel aspects of the complex interplay of intrinsic and extrinsic contributions to magnetic hysteresis in rare-earth-based magnets, i.e., the combination of increased intrinsic anisotropy due to Cu substitution and the extrinsic effect of inhomogeneous elemental distribution of Cu and Co.

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Section: Results and Discussionsupporting

confidence: 89%

Section: Discussionmentioning

confidence: 99%

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo_5–xCu_x Thin Films

Gkouzia,

Günzing,

Xie

et al. 2023

Inorg. Chem.

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Electric Field Gradients of Fluorides Calculated by the Full Potential KKR Green’s Function Method

Cited by 1 publication

References 9 publications

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo_5–xCu_x Thin Films

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo_5–xCu_x Thin Films

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Electric Field Gradients of Fluorides Calculated by the Full Potential KKR Green’s Function Method

Cited by 1 publication

References 9 publications

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo5–xCux Thin Films

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo5–xCux Thin Films

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Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo_5–xCu_x Thin Films

Element-Specific Study of Magnetic Anisotropy and Hardening in SmCo_5–xCu_x Thin Films