Band gaps and electronic structure of alkaline-earth and post-transition-metal oxides
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Bibliographic record
Abstract
The electronic structure in alkaline-earth $Ae\text{O}$ $(Ae=\text{Be},\text{ }\text{Mg},\text{ }\text{Ca},\text{ }\text{Sr},\text{ }\text{Ba})$ and post-transition-metal oxides $Me\text{O}$ $(Me=\text{Zn},\text{ }\text{Cd},\text{ }\text{Hg})$ is probed with oxygen $K$-edge x-ray absorption and emission spectroscopy. The experimental data are compared with density-functional theory electronic-structure calculations. We use our experimental spectra of the oxygen $K$ edge to estimate the band gaps of these materials and compare our results to the range of values available in the literature. From the calculated partial density of states we conclude that the position of main $\text{O}\text{ }K$-edge x-ray emission feature in BeO, SrO, and BaO is defined by the position of the $np$ states of the cation while in the other oxides studied here the main $\text{O}\text{ }K$-edge x-ray emission feature is defined by the position of the $(n\ensuremath{-}1)d$ (for CaO) or $nd$ states of the cation.
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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 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it