The mixing of Fe/Co and its effect on the exchange interaction in SmCo5/α-Fe nanocomposites: A first-principles study
Bibliographic record
Abstract
SmCo 5 / α - Fe is an ideal model for an exchange-coupled magnet. Depending on preparation conditions, some Fe/Co mixing occurs at the interface between the SmCo5 and the α-Fe phases. The mixing behavior of Fe/Co and its effect on the magnetic properties have been studied by a first-principles density functional calculation. For a model system of SmCo5+4Fe (SmCo5Fe4), the calculated substitution energy of Fe in SmCo5 is positive and increases from 40 meV/atom to 61 meV/atom with increasing x from 1 to 3 in SmCo5-xFex, indicating that Fe destabilizes the 1:5 structure. However, the substitution energy of Co in α-Fe changes from negative to positive as x is above 0.68 in Fe1-xCox. The corresponding mixing energy of Fe/Co changes from negative to positive as x is above 2.3 in the virtual alloy of SmCo5-xFex+Fe4-xCox, implying the existence of a concentration limit for the mixing of Fe/Co. The exchange interaction calculations indicate that the inter-atomic exchange interaction of Fe-Co nearest neighbor pairs is stronger than that of Fe-Fe and Co-Co pairs in Sm(Co,Fe)5 and α-(Fe,Co), respectively. The results imply that the Fe/Co mixing enhances the interface exchange-coupling between SmCo5 and α-Fe, which improves the coercivity in the exchange-coupled nano-composite magnets.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".