Electronic and magnetic properties of honeycomb arsenic–phosphorus nanoribbons via a first-principles study
Bibliographic record
Abstract
In this paper, the structural stability, electronic structure, and magnetic properties of single-layer honeycomb arsenic–phosphorus (AsP) nanoribbons are systematically investigated using density functional theory calculations. Zigzag AsP nanoribbons (ZNRs) possess magnetic moments on the edge atoms. In addition, the ferromagnetic and intraedge antiferromagnetic states of ZNRs can be randomly coupled because of their equal total energy and almost identical electronic band structures. Armchair AsP nanoribbons (ANRs) show clear edge reconstructions and are nonmagnetic. ZNRs and ANRs are indirect and direct semiconductors, respectively, and have significantly smaller bandgaps than that of two-dimensional single-layer AsP due to their edge states. More interestingly, when the edge atoms are saturated by hydrogen atoms, ZNRs change from an indirect bandgap to a direct bandgap. In addition, both the ZNRs and ANRs exhibit enlarged bandgaps and nonmagnetic ground states due to hydrogen saturation. This work indicates that AsP nanoribbons can possess quite different electronic structures from two-dimensional single-layer AsP, extending the application field of AsP nanostructures.
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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) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| 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".