Novel low-energy geometries of single, double and triple tellurium atomic helices
Bibliographic record
Abstract
A theoretical study of single, double and triple hydrogen-terminated chains of tellurium atoms is presented. Surprisingly, H-terminated single chains with 3 Te atoms per unit cell (as in bulk trigonal Te) are found to be unstable. They relax to regular helical structures with lower energies and smaller twist angles. However, some irregular chains are found to have still lower energies, and compact disordered H-terminated Te chains of mixed chirality are found to have even lower energies. These findings are compared with results of a new systematic study of infinite periodic Te atomic chains. Pairs of H-terminated Te atomic chains are found to form DNA-like double helices with lower energies than compact disordered structures of the two chains. Triplets of H-terminated Te atomic chains are found to form triple helices. The single, double and triple Te helices reported here are beyond the scope of previously studied periodic models with small unit cells.
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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 | 0.001 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".