Nature of the electronic states involved in the chemical bonding and superconductivity at high pressure in SnO
Bibliographic record
Abstract
We have investigated the electronic structure and the Fermi surface of SnO using density functional theory calculations within recently proposed exchange-correlation potential (PBE + mBJ) at ambient conditions and high pressures up to 19.3 GPa where superconductivity was observed. It was found that the Sn valence states (5 s , 5 p , and 5 d are strongly hybridized with the O 2 p states, and that our density functional theory calculations are in good agreement with O K -edge X-ray spectroscopy measurements for both occupied and empty states. It was demonstrated that the metallic states appearing under pressure in the semiconducting gap stem due to the transformation of the weakly hybridized O 2 p -Sn 5 sp subband corresponding to the lowest valence state of Sn in SnO. We discuss the nature of the electronic states involved in chemical bonding and formation of the hole and electron pockets with nesting as a possible way to superconductivity.
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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 | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".