Variation of Zr-L<sub>2,3</sub>XANES in tetravalent zirconium oxides
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Bibliographic record
Abstract
Zr-L2,3 XANESs of tetravalent zirconium oxides with different coordination numbers and local symmetries are systematically investigated by ab initio multiplet calculations using fully relativistic molecular spinors for model clusters. Experimental Zr-L2,3 XANESs are obtained for SrZrO3, m-ZrO2 (monoclinic) and t-ZrO2 (tetragonal). The theoretical spectra are in good agreement with the experimental data. The multiplet effects are found to play essential roles in determining the peak shape. The shapes of L3- and L2-edges are systematically different. The intensity ratios of the doublet peaks at both L3- and L2-edges are found to be sensitive to the coordination number of Zr. The ratio can therefore be used to estimate the coordination number of Zr in such oxides.
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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 | 0.000 | 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 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.001 |
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