Computational delving into conceivable thermoelectric and spintronic applications of NH<sub>4</sub>AF<sub>3</sub> (A = Fe and Co) ferromagnets
Bibliographic record
Abstract
In this investigation, the structural, mechanical, electronic, magnetic, and thermoelectric properties of fluoroperovskite NH4AF3 (A = Fe and Co) compounds were determined utilizing the WIEN2k code. The structural properties such as tolerance factor, enthalpy, and elastic stability criterion predict that the studied compounds are mechanically and thermodynamically stable. Furthermore, the mechanical properties show that NH4FeF3 is more stretchable and rigid in nature than NH4CoF3. Interestingly, both compounds exhibit the anisotropic, intermediate type of bonding effect, higher plastic deformation limit, and brittle nature. The high melting temperature of the present compounds indicates the possible usage of these compounds in high-temperature electronic applications. The electronic calculations show that NH4FeF3 and NH4CoF3 are half-metallic and ferromagnetic compounds with a combination of ionic and covalent bonds between the different atoms. The thermoelectric parameters predict that electrons are the main charge carriers for the present compound with p-type character. Our study suggests that these plausible applications of the compounds are very versatile and include heat sensors, spintronic devices, optoelectronic sensors, and magnetic tunnel junction devices.
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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 | 0.001 |
| 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 | 0.001 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.004 | 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".