Direct to indirect band gap transition induced by approximately dark states
Bibliographic record
Abstract
Abstract Recent work suggests that crystal structures with two sublattice pairs per primitive cell can host “dark states”, electronic states that barely interact with light due to destructive interference, which makes them invisible in photoemission. In practice, however, dark states are only approximately dark, arising from near but imperfect translation symmetries. Here, we demonstrate a practical consequence of this in the semiconductor (NbSe 4 ) 3 I: Although its band structure indicates an almost direct gap, the material behaves optically like an indirect-gap semiconductor. Angle-resolved photoemission spectroscopy uncovers weak spectral-weight bands folded from a larger Brillouin zone, reflecting approximate intra-unit-cell symmetry. These states form a small direct band gap consistent with transport data but exhibit very low optical transition probability. Instead, optical absorption is dominated by higher-energy transitions involving bands with stronger spectral weight, effectively enlarging the observed optical gap. Our results show that dark states are approximate phenomena with significant consequences for optoelectronic properties.
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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 | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.000 | 0.001 |
| Research integrity | 0.000 | 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".