Investigations on the magnetic properties of the Fe5-xCoxSiB2 alloys by experimental and band structure calculation methods

Hirian, R.; Isnard, O.; Pop, V.; Benea, D.

doi:10.1016/j.jmmm.2020.166748

Cited by 3 publications

(14 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…All five experimentally reported solid solutions () 5 AB 2 are predicted to be stable here, 35,36,56 as well as the recently discovered Ti 4 MoSiB 2 o -MAB. 37 Noteworthily, the additional 121 solid solution and 35 o -MAB phases are predicted to be stable, mainly for A = Si, P, and Ge, suggesting that metal alloying in T2 phases is a prospective path towards expanding the possible chemistries which, in turn, provide a high tunning potential of these materials.…”

Section: Resultssupporting

confidence: 64%

“…For the solid solution () 5 AB 2 we evaluate Δ G solid solution at 2000 K, motivated by a typical temperature of 1000 to 1900 °C (1273 to 2173 K) used for the synthesis of M 5 AB 2 ( e.g. M = Mo, W, Mn) and (Fe 0.8 ) 5 AB 2 (M′′ = Mn, Co), 35,36,56,57 by including the contribution of configurational entropy to Gibb's free energy, using eqn (3) and (4). The depicted symbol thus represents the chemical order of the lowest energy at 2000 K; filled squares for ordered M′′AB 2 o -MAB and open circles for the solid solution () 5 AB 2 .…”

Section: Resultsmentioning

confidence: 99%

“…For the solid solution (M 0 0:8 M 00 0:2 ) 5 AB 2 we evaluate DG solid solution at 2000 K, motivated by a typical temperature of 1000 to 1900 1C (1273 to 2173 K) used for the synthesis of M 5 AB 2 (e.g. M = Mo, W, Mn) and (Fe 0.8 M 00 0:2 ) 5 AB 2 (M 00 = Mn, Co), 35,36,56,57 by including the contribution of configurational entropy to Gibb's free energy, using eqn (3) and ( 4 All five experimentally reported solid solutions (M 0 0:8 M 00 0:2 ) 5 AB 2 are predicted to be stable here, 35,36,56 as well as the recently discovered Ti 4 MoSiB 2 o-MAB. 37 Noteworthily, the additional 121 solid solution and 35 o-MAB phases are predicted to be stable, mainly for A = Si, P, and Ge, suggesting that metal alloying in T2 phases is a prospective path towards expanding the possible chemistries which, in turn, provide a high tunning potential of these materials.…”

Section: Stability Upon Metal Alloying For Quaternary T2 Phases -Orde...mentioning

confidence: 99%

“…DG solid solution o DH o-MAB (Fe 0.8 Co 0.2 ) 5 AB 2 (A = Si, P) 35,36,56 (Ti 0.8 W 0.2 ) 5 AB 2 (A = Si, P) (Co 0.8 Fe 0.2 ) 5 AB 2 (A = P) 35 (V 0.8 Ti 0.2 ) 5 AB 2 (A = Si, P) (V 0.8 M 00 0:2 ) 5 AB 2 (A = Si, P, Ge; M 00 = Nb, Ta, Mn) (V 0.8 M 00 0:2 ) 5 AB 2 (A = Si, P, Ga, Ge; M 00 = Cr, Mo, W) (V 0.8 Fe 0.…”

Section: Conflicts Of Interestmentioning

confidence: 99%

“…T2 phases are attractive due to their high oxidation resistance, 30 nearly isotropic thermal expansion, 31 superconducting properties 32,33 and potential for use as rare-earth free permanent magnets. 34–36…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Chemical order or disorder – a theoretical stability expose for expanding the compositional space of quaternary metal borides

Dahlqvist

Rosén

2022

Mater. Adv.

View full text Add to dashboard Cite

show abstract

Section: Resultssupporting

confidence: 64%

Section: Resultsmentioning

confidence: 99%

Section: Stability Upon Metal Alloying For Quaternary T2 Phases -Orde...mentioning

confidence: 99%

Section: Conflicts Of Interestmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Chemical order or disorder – a theoretical stability expose for expanding the compositional space of quaternary metal borides

Dahlqvist

Rosén

2022

Mater. Adv.

View full text Add to dashboard Cite

show abstract

MAGNETIC PROPERTIES OF (Fe,Co)5SiB2 ALLOYS BY W DOPING

Hirian¹,

Pop²,

Isnard³

et al. 2022

Studia UBB Physica

View full text Add to dashboard Cite

"The intrinsic magnetic properties (magnetic moments, magneto-crystalline anisotropy, Curie temperatures) of the Fe5-x-yCoyWxSiB2 alloys have been calculated using the spin-polarized relativistic Korringa-Kohn-Rostoker (SPRKKR) band structure method. Our calculations show that for several compounds with x ≥0.5, the magnetocrystalline anisotropy energy (MAE) became axial. Also, theoretical calculations for Fe4WSiB2 compound found a magnetization decrease (with about 20%), a Curie temperature decrease of about 30% but an increased axial magnetocrystalline anisotropy compared with the corresponding values for Fe5SiB2. Several Fe5-xWxSiB2 alloys (x = 0, 0.1, 0.2, 0.5, 1) have been prepared by arc melting of corresponding high purity elements in Ar controlled atmosphere. Composition analysis of the Fe5-xWxSiB2 alloys found an impurity phase along with the tetragonal I4/mcm phase of pure Fe5SiB2. The magnetic measurements found the decrease of the magnetization any significant increase of the coercivity due to W doping. Keywords: ab-initio calculations, B. magneto-crystalline anisotropy, C. magnetization, D. rare earth free magnets. "

show abstract

Magnetic Anisotropy Tailoring by 5d-Doping in (Fe,Co)5SiB2 Alloys

Benea

2023

Inorganics

View full text Add to dashboard Cite

Band-structure calculations were performed using the spin-polarized relativistic Korringa–Kohn–Rostoker (SPR-KKR) band-structure method, determining intrinsic magnetic properties, such as magnetic moments, magnetocrystalline anisotropy energy (MAE), and Curie temperatures, of Fe5−x−yCoxMySiB2 (M = Re, W) alloys. The general gradient approximation (GGA) for the exchange–correlation potential and the atomic sphere approximation (ASA) were used in the calculations. Previous studies have shown that for Fe5SiB2, the easy magnetization direction is in-plane, but it turns axial for Co-doping in the range 1 < x ≤ 2.5 (y = 0). Furthermore, studies have shown that 5d-doping enhances the MAE by enabling the strong spin–orbit coupling of Fe–3d and M–5d states. The aim of the present theoretical calculations was to find the dependence of the anisotropy constant K1 for combined Co- and M-doping, building a two-dimensional (2D) map of K1 for 0 ≤ x ≤ 2 and 0 ≤ y ≤ 1. Similar theoretical 2D maps for magnetization and Curie temperature vs. Co and M content (M = W and Re) were built, allowing for the selection of alloy compositions with enhanced values of uniaxial anisotropy, magnetization, and Curie temperature. The magnetic properties of the Fe4.1W0.9SiB2 alloy that meet the selection criteria for axial anisotropy K1 > 0.2 meV/f.u., Curie temperature Tc > 800 K determined by the mean-field approach, and magnetization µ0Ms > 1 T are discussed.

show abstract

Investigations on the magnetic properties of the Fe5-xCoxSiB2 alloys by experimental and band structure calculation methods

Cited by 3 publications

References 33 publications

Chemical order or disorder – a theoretical stability expose for expanding the compositional space of quaternary metal borides

Chemical order or disorder – a theoretical stability expose for expanding the compositional space of quaternary metal borides

MAGNETIC PROPERTIES OF (Fe,Co)5SiB2 ALLOYS BY W DOPING

Magnetic Anisotropy Tailoring by 5d-Doping in (Fe,Co)5SiB2 Alloys

Contact Info

Product

Resources

About