Magnetic state and exchange interaction in GdScGe: <i>Ab initio</i> study
Bibliographic record
Abstract
The electronic structure and magnetic properties for GdScGe system have been studied via a first-principles density functional calculation. The energy band structure has been calculated in a generalized gradient approximation, plus Hubbard U approach. For Gd atoms, seven spin-up 4f bands are fully occupied and situated at the bottom of Ge 4s-like states, while the spin-down 4f hole levels are completely unoccupied and well above the Fermi level. The calculated magnetic moment is 7.6 μB per formula unit and is not sensitive to the change of the unit cell volume. The exchange interaction increases with decreasing unit cell volume, which results in a pressure induced enhancement of the Curie temperature (TC). TC increases from about 345 K to 410 K as external pressure increases from 0 to 18 GPa. With the experimental lattice constants, the calculated TC is 353 K, which is in good agreement with the experimental value (TCexp.=349K).
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
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 | 0.000 | 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 teacher head, 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".