Indirect-to-direct bandgap transition in bilayer InSe: roles of twistronics
Bibliographic record
Abstract
Abstract We report a general approach to trigger indirect-to-direct bandgap transition in twisted bilayer two-dimensional (2D) systems. By performing first-principles density functional theory calculation, this indirect-to-direct bandgap transition is demonstrated to be realized in twisted bilayer InSe (tbIS). Through analyzing the spatial distribution of wave functions with respect to variations of twist angles, it is found that the shift of location of valence band maximum arises from the formation of Moiré flat bands associated with the evolution of electronic localization. Meanwhile, the relaxation effect introduced by out-plane displacement in relaxed tbIS Moiré superlattice is inevitable when considering the twist-angle dependent electronic properties. Our prediction in tbIS systems could provide an alternative strategy to realize indirect-to-direct bandgap transition through twistronics for designing nano-electronic devices.
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How this classification was reachedexpand
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) | 0.001 | 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) | 0.002 | 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 teacher head, 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".