Magnetic properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>Fe</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>Co</mml:mi><mml:mi>x</mml:mi></mml:msub></mml:mrow><mml:mo>)</mml:mo><mml:mrow><mml:msub><mml:mrow /><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">B</mml:mi></mml:mrow></mml:math>alloys and the effect of doping by<mml:math xmlns:mml="http://www.w3.org/1998/Ma

Edström, Alexander; Werwiński, Mirosław; Iuşan, Diana; Rusz, Ján; Eriksson, Olle; Skokov, Konstantin P.; Radulov, I.; Ener, Semih; Kuz’min, M. D.; Hong, Jisang; Fries, Maximilian; Karpenkov, D.; Gutfleisch, Oliver; Toson, Peter; Fidler, J.

doi:10.1103/physrevb.92.174413

Cited by 75 publications

(65 citation statements)

References 59 publications

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“…The 5d doping has sometimes beneficial and sometimes adverse effect on MAE. 35,68,69 Significant increase of MAE is observed for W or Re doping, similar like in the case of (Fe 1−x Co x ) 2 B alloys investigated experimentally in our previous work 19 . The MAE grows from 0.52 MJ m −3 for Fe 5 PB 2 to about 1.1 MJ m −3 for the compositions with W or Re, with 5% Fe substitution.…”

Section: H Doping Fe 5 Pb 2 With 5d Elementssupporting

confidence: 86%

“…23 Previously we showed also that increase of the MAE of 3d alloys can be achieved through doping with 5d elements. 19 In this work we follow this idea and calculate the resultant MAEs of Fe 5 PB 2 -based alloys with 5% substitutions of each 5d element in place of Fe.…”

Section: Lejeune Et Almentioning

confidence: 99%

“…Previously we have shown, that the increase in MAE observed for W and Re dopants is mainly due to the strong spin-orbit coupling of the 5d atoms, however other variations in electronic structure also affect the MAE. 19 Although in our calculations the 5d elements are initially considered as non-magnetic, the dopants undergo spin Spin (ms) and orbital (m l ) magnetic moments of 5d transition metal impurities X in (Fe 0.95 X 0.05 ) 5 PB 2 as calculated for spin quantization axis along the c-axis. Supercell calculations were done with the FPLO14 code using the PBE functional and treating the relativistic effects in a full 4-component formalism (including spin-orbit coupling).…”

Section: H Doping Fe 5 Pb 2 With 5d Elementsmentioning

confidence: 99%

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Magnetocrystalline anisotropy ofFe5PB2and its alloys with Co and5delements: A combined first-principles and experimental study

et al. 2018

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The Fe 5 PB 2 compound offers tunable magnetic properties via the possibility of various combinations of substitutions on the Fe and P-sites. Here, we present a combined computational and experimental study of the magnetic properties of (Fe 1−x Cox) 5 PB 2 . Computationally, we are able to explore the full concentration range, while the real samples were only obtained for 0 ≤ x ≤ 0.7. The calculated magnetic moments, Curie temperatures, and magnetocrystalline anisotropy energies (MAEs) are found to decrease with increasing Co concentration. Co substitution allows for tuning the Curie temperature in a wide range of values, from about six hundred to zero kelvins. As the MAE depends on the electronic structure in the vicinity of Fermi energy, the geometry of the Fermi surface of Fe 5 PB 2 and the k-resolved contributions to the MAE are discussed. Low temperature measurements of an effective anisotropy constant for a series of (Fe 1−x Cox) 5 PB 2 samples determined the highest value of 0.94 MJ m −3 for the terminal Fe 5 PB 2 composition, which then decreases with increasing Co concentration, thus confirming the computational result that Co alloying of Fe 5 PB 2 is not a good strategy to increase the MAE of the system. However, the relativistic version of the fixed spin moment method reveals that a reduction in the magnetic moment of Fe 5 PB 2 , by about 25%, produces a fourfold increase of the MAE. Furthermore, calculations for (Fe 0.95 X 0.05 ) 5 PB 2 (X = 5d element) indicate that 5% doping of Fe 5 PB 2 with W or Re should double the MAE. These are results of high interest for, e.g., permanent magnet applications, where a large MAE is crucial.

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Section: H Doping Fe 5 Pb 2 With 5d Elementssupporting

confidence: 86%

Section: Lejeune Et Almentioning

confidence: 99%

Section: H Doping Fe 5 Pb 2 With 5d Elementsmentioning

confidence: 99%

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Magnetocrystalline anisotropy ofFe5PB2and its alloys with Co and5delements: A combined first-principles and experimental study

et al. 2018

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“…46,47 The advantage of using full potential method for MAE calculations has been discussed before. 14,48 The ab initio calculations of K 3 are today still a numerically demanding task. But what distinguishes the SPR-KKR among the other ab initio codes is a numerical accuracy on the level of about 0.1 µeV in calculating total energy, which is the same order of magnitude as expected for the K 3 value of the L1 0 FeNi.…”

Section: Computational Detailsmentioning

confidence: 99%

Ab initiostudy of magnetocrystalline anisotropy, magnetostriction, and Fermi surface of L1₀FeNi (tetrataenite)

Werwiński¹,

Marciniak²

2017

J. Phys. D: Appl. Phys.

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The ordered L1 0 FeNi phase (tetrataenite) is recently considered as a promising candidate for the rare-earth free permanent magnets applications. In this work we calculate several characteristics of the L1 0 FeNi, where most of the results come form the fully relativistic full potential FPLO method with the generalized gradient approximation (GGA). A special attention deserves the summary of the magnetocrystalline anisotropy energies (MAE's), the full potential calculations of the anisotropy constant K 3 , and the combined analysis of the Fermi surface and three-dimensional k-resolved MAE. Other calculated parameters presented in this article are the magnetic moments ms and m l , magnetostrictive coefficient λ 001 , bulk modulus B 0 , and lattice parameters. The MAE's summary shows rather big discrepancies between the experimental MAE's from literature and also between the calculated MAE's. The MAE's calculated in this work with the full potential and GGA are equal to 0.47 MJ m −3 from WIEN2k, 0.34 MJ m −3 from FPLO, and 0.23 MJ m −3 from FP-SPR-KKR code. These last results strongly suggest that the value of MAE in GGA is below 0.5 MJ m −3 . It is also expected that this value is significantly underestimated due to the limitations of the GGA. Unfortunately, as other authors suggest, even the MAE equal 1.3 MJ m −3 would be insufficient to raise the L1 0 FeNi from the category of semi-hard magnets. However the L1 0 FeNi has still a potential to improve its MAE by modifications, like e.g. tetragonal strain or alloying. The presented three-dimensional k-resolved map of the MAE combined with the Fermi surface gives a complete picture of the MAE contributions in the Brillouin zone. The calculated Fermi surface consists of closed hole pockets and open sheets. It reflects a four-fold symmetry of the crystal and is closely related to the MAE(k). The analysis of the effects of external factors, like strain, on the k-resolved MAE and Fermi surface should be beneficial in engineering of the hard magnetic properties. The obtained from full potential FP-SPR-KKR method magnetocrystalline anisotropy constants K 2 and K 3 are several orders of magnitude smaller than the MAE/K 1 and equal to -2.0 kJ m −3 and 110 J m −3 , respectively. The calculated partial spin and orbital magnetic moments of the L1 0 FeNi are equal to 2.72 and 0.054 µ B for Fe and 0.53 and 0.039 µ B for Ni atoms, respectively. The calculations of geometry optimization lead to a c/a ratio equal to 1.0036, B 0 equal to 194 GPa, and λ 001 equal to 9.4 × 10 −6 .

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“…NdFe-B alloys are nowadays the most widely used materials in the industry for this purpose [1], moreover addition of iron, dysprosium or terbium is used to improve their properties [2]. The rising prices of rare earth elements facilitates the development of new permanent magnet materials without rare earth elements, for example those with 5d elements, as Mn-Al or Fe-Co [3,4]. These compounds did not match the energy product value of Nd-Fe-B system, but more than a half of Nd-Fe-B energy product can be still useful for many applications.…”

Section: Introductionmentioning

confidence: 99%

Development of Magnetic Properties during Annealing of Hf_2Co_{11}B Amorphous Alloy

2017

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Influence of heat treatment on magnetic properties of amorphous Hf2Co11B alloy was investigated. Hard magnetic phase, characterized by high magnetic anisotropy, appears during crystallization. The highest coercive field equal to 1.86 kOe, was obtained for sample annealed in third crystallization stage. Longer heat treatment at Ta = 650• C leads to decrease in coercive field, which can be the result of excess of the HfCo3B2 phase volume fraction and additionally eutectoid transformation of hard magnetic phase into soft magnetic Co23B6 and fcc-Co. Decrease of volume fraction of hard phase is confirmed by the remanence ratio mr. Value of mr, for Ta = 650• C, is decreasing with annealing time from 0.4 to 0.27 for 30 min and 120 min, respectively. The magnetocrystalline anisotropy constant K1 increases from 2.23 Merg/cm 3 for the amorphous ribbon to 15.84 Merg/cm 3 for the sample annealed at 650• C for 30 min.

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Magnetic properties of(Fe1−xCox)2Balloys and the effect of doping by
Alexander Edström¹,
Mirosław Werwiński²,
Diana Iuşan³
et al.

Cited by 75 publications

References 59 publications

Magnetocrystalline anisotropy ofFe5PB2and its alloys with Co and5delements: A combined first-principles and experimental study

Magnetocrystalline anisotropy ofFe5PB2and its alloys with Co and5delements: A combined first-principles and experimental study

Ab initiostudy of magnetocrystalline anisotropy, magnetostriction, and Fermi surface of L1₀FeNi (tetrataenite)

Development of Magnetic Properties during Annealing of Hf_2Co_{11}B Amorphous Alloy

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Magnetic properties of(Fe1−xCox)2Balloys and the effect of doping byAlexander Edström1, Mirosław Werwiński2, Diana Iuşan3 et al.

Cited by 75 publications

References 59 publications

Magnetocrystalline anisotropy ofFe5PB2and its alloys with Co and5delements: A combined first-principles and experimental study

Magnetocrystalline anisotropy ofFe5PB2and its alloys with Co and5delements: A combined first-principles and experimental study

Ab initiostudy of magnetocrystalline anisotropy, magnetostriction, and Fermi surface of L10FeNi (tetrataenite)

Development of Magnetic Properties during Annealing of Hf_2Co_{11}B Amorphous Alloy

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Product

Resources

About

Magnetic properties of(Fe1−xCox)2Balloys and the effect of doping by
Alexander Edström¹,
Mirosław Werwiński²,
Diana Iuşan³
et al.

Ab initiostudy of magnetocrystalline anisotropy, magnetostriction, and Fermi surface of L1₀FeNi (tetrataenite)