Chemical Bonding and Hybridization in 5<i>p</i> Binary Oxide
Bibliographic record
Abstract
We analyze the electronic structure of several 5 p binary oxides (In 2 O 3, SnO, SnO 2, Sb 2 O 3, Sb 2 O 5, and TeO 2 ) using density functional theory and soft X-ray spectroscopy. We find that there is bonding in hybridized cation 5 s -O 2 p states at the bottom of the valence band in oxides with cations in both the formal 5 s 2 and 5 s 0 valencies. We similarly find that there is antibonding in hybridized cation 5 d - or 5 s -O 2 p states at the top of the valence band for oxides with cations in 5 s 2 or 5 s 0 valencies, respectively, and the density of O 2 p states in these antibonding states is much greater in the 5 s 0 oxides than the 5 s 2 oxides. The calculated and quasi-empirical band gaps for these oxides are tabulated, and we identify the hybridizations responsible for the spectral features in the measured XES.
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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) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 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) | 0.002 | 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".