Half-metallic ferromagnetism in Wurtzite <i>M</i>S (<i>M</i> = Li, Na, and K)
Bibliographic record
Abstract
The magnetic properties of MS (M = Li, Na, K) compounds in a Wurtzite structure at zero pressure are investigated by using first principle calculations and the pseudopotential self-consistent method based on density functional theory. It is shown that MS compounds in Wurtzite structure are half-metallic ferromagnets with a magnetic moment of μB per formula unit and half-metallic gaps of 0.24, 0.52, and 0.62 eV for LiS, NaS, and KS, respectively. We also consider the effect of pressure on the half-metallicity of these compounds and we find that LiS, NaS, and KS in Wurtzite structure maintain their half-metallicity up to lattice compressions of 9%, 37%, and 60%, respectively, and as a result one can grow them over the semiconductors in Wurtzite structures that are produced experimentally. These properties cause Wurtzite MS compounds to be appropriate choices to create useful devices in spintronics.
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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 | 0.001 | 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".