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Anisotropic ferromagnetism and structure stability in $4f$-$3d$ intermetallics: ab initio structure optimization and magnetic anisotropy for RCo$_5$ (R=Ce, La, and Y)
Materials Science · Submitted 31 Jan 2019
abstract compiled · 2026-09-23 · no language-model review
The authors' main claim Comparison with the champion magnet materials family R$_2$T$_{14}$B and recently revisited materials family RT$_{12}$ (T=Co and Fe) points to a direction leading to a mid-class magnet for the possible next generation materials.
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The abstract, sentence by sentence
Electronic mechanism in the interplay between ferromagnetism and structure stability of $4f$-$3d$ intermetallics in the main phase of rare-earth permanent magnets is investigated from first principles. We present a case study with an archetypical materials family RCo$_5$ (R=Ce, La, Y), which was a part of the earliest rare-earth permanent magnets and from which other representative main-phase compounds can be regarded as a derived type. Comparison with the champion magnet materials family R$_2$T$_{14}$B and recently revisited materials family RT$_{12}$ (T=Co and Fe) points to a direction leading to a mid-class magnet for the possible next generation materials.
background contribution method result interpretation main claim
| # | sentence | role | the authors' own work | states the main conclusion | strength |
|---|---|---|---|---|---|
| s0 | Electronic mechanism in the interplay between ferromagnetism and structure stability of $4f$-$3d$ intermetallics in the main phase of rare-earth permanent magnets is investigated from first principles. | contribution 0.93 | 0.85 | 0.09 | asserted 0.95 |
| s1 | We present a case study with an archetypical materials family RCo$_5$ (R=Ce, La, Y), which was a part of the earliest rare-earth permanent magnets and from which other representative main-phase compounds can be regarded as a derived type. | contribution 0.79 | 0.31 | 0.04 | asserted 0.99 |
| s2 | Comparison with the champion magnet materials family R$_2$T$_{14}$B and recently revisited materials family RT$_{12}$ (T=Co and Fe) points to a direction leading to a mid-class magnet for the possible next generation materials. | interpretation 0.92 | 0.48 | 0.48 | hedged possibility 0.90 |
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The paper
Original abstract
Electronic mechanism in the interplay between ferromagnetism and structure stability of $4f$-$3d$ intermetallics in the main phase of rare-earth permanent magnets is investigated from first principles. We present a case study with an archetypical materials family RCo$_5$ (R=Ce, La, Y), which was a part of the earliest rare-earth permanent magnets and from which other representative main-phase compounds can be regarded as a derived type. Comparison with the champion magnet materials family R$_2$T$_{14}$B and recently revisited materials family RT$_{12}$ (T=Co and Fe) points to a direction leading to a mid-class magnet for the possible next generation materials.
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What it cites · 4 sentences without a confident label
Uses the method or tool of 2 papers
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The detailed procedures for the calculation of formation energy follow those described in Refs. [ref] and [ref] .
Site preference of dopant elements in Nd2Fe14B · Formation energy · 0.99
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The detailed procedures for the calculation of formation energy follow those described in Refs. [ref] and [ref] .
Optimal uni-axial ferromagnetism in (La,Ce)$_2$Fe$_{14}$B for permanent magnets · Formation energy · 0.99
Uses data or values from 2 papers
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The results are shown in Fig. [ref] together with the counterpart data for Ce$_2$Fe$_14$B and La$_2$Fe$_14$B as partly taken from Ref. [ref] .
Optimal uni-axial ferromagnetism in (La,Ce)$_2$Fe$_{14}$B for permanent magnets · Magnetic anisotropy energy · 0.95
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Again the data for R$_2$Fe$_14$B (R=Ce and La) and Y$_2$T$_14$B (T=Co, Fe) are taken from Refs. [ref] and [ref] , respectively.
Site preference of dopant elements in Nd2Fe14B · Magnetization · 0.98
Compares with 1 paper
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The difference from the fully relativistic calculations for Ce$_2$Fe$_14$B in Ref. [ref] where the constraints on the direction of magnetic moments were all imposed on Ce and Fe is seen only quantitatively in the absolute value of $K$ with a slightly smaller number coming up here.
Optimal uni-axial ferromagnetism in (La,Ce)$_2$Fe$_{14}$B for permanent magnets · Magnetic anisotropy energy · 0.99
Cites as background 1 paper
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As for the other prerequisite intrinsic property, Curie temperature, some of the issues and finite-temperature magnetism are addressed in separate works [ref] .
Calculated Curie temperatures for rare-earth permanent magnets: ab initio inspection on localized magnetic moments in d-electron ferromagnetism · Methods · 0.92
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