The mixing of Fe/Co and its effect on the exchange interaction in SmCo5/α-Fe nanocomposites: A first-principles study
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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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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.002 | 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) | 0.000 | 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 it