Elastic properties and plane acoustic velocity of cubic Sr2CaMoO6 and Sr2CaWO6 from first-principles calculations
Bibliographic record
Abstract
Abstract The elastic properties and plane acoustic velocity of double perovskite Sr2CaMoO6 and Sr2CaWO6 are investigated with the plane wave pseuedopotential method based on the first-principles density functional theory within the local density approximate (LDA) and the generalized gradient approximation (GGA). The calculations indicate that Sr2CaMoO6 and Sr2CaWO6 respectively have the the Mo-O and W-O stable octahedral structure. The bulk modulus B, shear modulus G, Young’s modulus E, Poisson’s ratio ν and Debye temperature were calculated based on the elastic constants. The three dimensional plane acoustic velocities and their projection are in calculated for each direction by solving the Christoffel’s equation systematically based on the theory of acoustic waves in anisotropic solids, the result shows of anisotropy of lattice vibration for Sr2CaMoO6 is stronger than Sr2CaWO6.
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".