Oxygen x-ray emission and absorption spectra as a probe of the electronic structure of strongly correlated oxides
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Bibliographic record
Abstract
We present synchrotron-excited oxygen x-ray $K$-emission spectroscopy ($\text{O}\text{ }K\ensuremath{\alpha}$ XES) and oxygen x-ray absorption spectroscopy ($\text{O}\text{ }1s$ XAS) spectra of transition-metal (TM) oxides MnO, CoO, and NiO. The comparison of oxygen $K$-emission and absorption spectra to valence band photoemission and bremsstrahlung isochromat spectra measurements shows that $\text{O}\text{ }1s$ XAS is not strongly influenced by the core hole effect, whereas the $\text{TM}\text{ }2p$ XAS significantly shifts to a lower energy. New and effective methods for determining the band gap and anion-to-cation cation charge-transfer energies of the oxides from the measured spectra are presented and applied, and the combination of O XAS and XES is shown to agree well with the results of numerical electronic structure methods applied to strongly correlated oxides. For MnO, the charge-transfer energy is found to be 6.6 eV and the band gap is 4.1 eV; for CoO, the values are 6.1 and 2.6 eV and for NiO, the values are 5.4 and 4.0 eV.
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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