Electronic and optical properties of the GeS/GeSe heterostructure tuned by in-plane strain
Bibliographic record
Abstract
Constructing new two-dimensional (2D) van der Waals (vdW) heterostructures has been widely employed as a convenient and effective strategy for tuning the optoelectronic properties, which is of great significance for applications in integrated nano-optoelectronic devices. In this work, we design a GeS/GeSe vdW heterostructure and systematically investigate its electronic and optical properties by using first-principles calculations. Our results indicate that the pristine GeS/GeSe heterostructure possesses an indirect band gap (∼0.98 eV) and exhibits an intrinsically type-I band alignment. Furthermore, the optoelectronic properties of the GeS/GeSe heterostructure can be effectively modulated by applying in-plane strain. Specifically, an indirect to direct band gap transition and a type-I to type-II band alignment transition can be synchronously realized, when the tensile strain along zigzag direction reaches 2%. Furthermore, the calculated dielectric function also reveals an obvious strain effect on the optical properties of the GeS/GeSe heterostructure. The light absorption coefficient of the GeS/GeSe heterostructure along the zigzag direction can reach to 10 6 cm −1 level, as the compressive in-plane strain reaches −5%. These findings are expected to play a guidance role in the future design of the optoelectronic devices based on 2D anisotropic heterostructures.
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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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 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".