Thermodynamics and Magnetism of SmFe12 Compound Doped with Co and Ni: An Ab Initio Study

Landa, A.; Söderlind, Per; Moore, Emily E.; Perron, Aurélien

doi:10.3390/app12104860

Cited by 9 publications

(11 citation statements)

References 177 publications

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“…As follows from Table 2 for UFe Si , the calculated magnetic moment is of 1.23 MA/m ( = 1.55 T), and the MAE density, = 2.41 MJ/m , is somewhat below the standard ( 4 MJ/m ) required for good permanent magnets 11 . The anisotropy field estimated as = 3.9 T which is slightly above the required value of 3.75 T 39 . The maximum energy product = 475 KJ/m is comparable to 460 KJ/m in the rare-earth intermetallics Nd Fe B 40 .…”

Section: Discussion and Summarymentioning

confidence: 69%

Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets

Shick

Halevy

Tchaplianka

et al. 2023

Sci Rep

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The electronic structure, spin and orbital magnetic moments, and the magnetic anisotropy energy in selected U-based compounds are investigated making use of the correlated band theory. First, we demonstrate that the LSDA+U approach with exact atomic limit implemented as a combination of the relativistic density functional theory with the Anderson impurity model provides a good quantitative description for UGa$${}_2$$ 2 . Further, the method is applied to UFe$$_{12}$$ 12 and UFe$${}_{10}$$ 10 Si$${}_2$$ 2 ferromagnets. The calculated positive uniaxial magnetic anisotropy together with negative enthalpy of formation for UFe$${}_{10}$$ 10 Si$${}_2$$ 2 make it as a candidate for the magnetically hard materials. Our studies suggest a viable route for further development of the rare-earth-lean permanent magnets by replacing a part of U atoms by some rare-earth like Sm in UFe$${}_{10}$$ 10 Si$${}_2$$ 2 .

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Section: Discussion and Summarymentioning

confidence: 69%

Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets

Shick

Halevy

Tchaplianka

et al. 2023

Sci Rep

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“…In our past works [35][36][37][38], we suggest enhancing µ 0 M s and (BH) max in the widely studied SmCo 5 , YCo 5 , and SmFe 12 magnets by replacing Co with Fe and using Ni as a stabilizer. As mentioned above, the stabilization of the SmFe 11 M magnet is accompanied by a considerable decrease in the magnetic moment because of the anti-parallel spin alignment of the magnetic moment of a given stabilizing metal, M, to the internal magnetization of the SmFe 12 intermetallic compound.…”

Section: Introductionmentioning

confidence: 95%

“…On the contrary, the spin moment of Ni exhibits parallel alignment with respect to the internal net magnetization of the SmFe 12 compound, thereby increasing its saturation magnetization. Recent calculations [38] demonstrate that the SmNi 4 (Fe 1−x Co x ) 8 alloys of the ThMn 12 type structure could be stable and possibly manufactured in bulk form across the entire compositional range. They have compelling magnetic properties, such as: µ 0 M s values of 1.38-1.57 T, 1.39-1.53 T, and 1.36-1.42 T (model dependent); T c values of 853 K, 928 K, and 995 K, and µ 0 H a values that are 6.09 T, 8.02 T, and 10.54 T, respectively.…”

Section: Introductionmentioning

confidence: 99%

“…The primary purpose of the current study is to study the influence of zirconium and cerium on the phase stability of the (Sm,Zr,Ce)(Fe-Co-Ni) 12 alloys and to assess their magnetic properties. We perform ab initio calculations using the following formalisms: (i) the fully relativistic exact muffin-tin orbital method (FREMTO) in conjunction with the coherent potential approximation (CPA) and (ii) the full-potential linear muffin-tin orbital method (FPLMTO), see [35][36][37][38] for details. The methods account for all relativistic effects, such as spin-orbit coupling (SOC).…”

Section: Introductionmentioning

confidence: 99%

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Thermodynamics and Magnetism of SmFe12 Compound Doped with Zr, Ce, Co and Ni: An Ab Initio Study

Landa,

Söderlind,

Moore

et al. 2024

Metals

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Alloys that are Ni-doped, such as the (Sm1−yZry)(Fe1−xCox)12 and (Ce0.5Sm0.5)Fe10Co2 systems, are studied because of their magnetic properties. The (Sm1−yZry)(Fe1−xCox)11−zTiz and (Ce.1−xSmx)Fe9Co2Ti alloys are considered contenders for vastly effective permanent magnets because of their anisotropy field and Curie temperature. Ti can act as a stabilizer for the SmFe12 compound but substantially suppresses saturation magnetization. To maintain the saturation magnetization in the scope of 1.3–1.5 T, we propose substituting a particular quantity of Fe and Co in the (Sm1−yZry)(Fe1−xCox)12 and (Ce0.5Sm0.5)Fe10Co2 alloys with Ni. By performing ab initio calculations, we show that Ni incorporation results in increased thermodynamic stability and, in contrast to Ti, has a parallel spin moment aligned to the moment of the SmFe12 compound and improves its saturation magnetization without affecting the anisotropy field or Curie temperature.

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“…Additionally, there are several further issues that must be taken into account, such as microstructure and twinning [ 18 , 21 ]. One of the largest groups of alloys with the ThMn 12 structure is based on Sm [ 22 , 23 , 24 , 25 ]. Nonetheless, for already known and investigated 1:12-type compounds, the maximum effort was made to develop Ce-based compounds due to the low criticality of this element [ 26 , 27 , 28 ].…”

Section: Introductionmentioning

confidence: 99%

Influence of Nd Substitution on the Phase Constitution in (Zr,Ce)Fe10Si2 Alloys with the ThMn12 Structure

et al. 2023

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Iron-based compounds with a ThMn12-type structure have the potential to bridge the gap between ferrites and high performance Nd2Fe14B magnets. From the point of view of possible applications, the main advantage is their composition, with about 10 wt.% less rare earth elements in comparison with the 2:14:1 phase. On the other hand, the main issue delaying the development of Fe-rich alloys with a ThMn12-type structure is their structural stability. Therefore, various synthesis methods and stabilizing elements have been proposed to stabilize the structure. In this work, the influence of increasing Nd substitution on the phase constitution of Zr0.4−xNdxCe0.6Fe10Si2 (0 ≤ x ≤ 0.3) alloys was analyzed. X-ray diffraction and 57Fe Mössbauer spectrometry were used as the main methods to derive the stability range and destabilization routes of the 1:12 structure. For the arc-melted samples, an increase in the lattice parameters of the ThMn12-type structure was observed with the simultaneous growth of bcc-(Fe,Si) content with increasing Nd substitution. After isothermal annealing, the ThMn12-type structure (and the coexisting bcc-(Fe,Si)) were stable over the whole composition range. While the formation of a 1:12 phase was totally suppressed in the as-cast state for x = 0.3, further heat treatment resulted in the growth of about 45% of the ThMn12-type phase. The results confirmed that the stability range of ThMn12-type structure in the Nd-containing alloys was well improved by other substitutions and the heat treatment, which in turn, is also needed to homogenize the ThMn12-type phase. After further characterization of the magnetic properties and optimization of microstructure, such hard/soft magnetic composites can show their potential by exploiting the exchange spring mechanism.

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Thermodynamics and Magnetism of SmFe12 Compound Doped with Co and Ni: An Ab Initio Study

Cited by 9 publications

References 177 publications

Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets

Itinerant-localized dichotomy in magnetic anisotropic properties of U-based ferromagnets

Thermodynamics and Magnetism of SmFe12 Compound Doped with Zr, Ce, Co and Ni: An Ab Initio Study

Influence of Nd Substitution on the Phase Constitution in (Zr,Ce)Fe10Si2 Alloys with the ThMn12 Structure

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