Atomistic theory of electronic and optical properties of InAsP/InP nanowire quantum dots
Bibliographic record
Abstract
We present here an atomistic theory of the electronic and optical properties of hexagonal InAsP quantum dots in InP nanowires in the wurtzite phase. These self-assembled quantum dots are unique in that their heights, shapes, and diameters are well known. Using a combined valence-force-field, tight-binding, and configuration-interaction approach we perform atomistic calculations of single-particle states and excitonic, biexcitonic, and trion complexes as well as emission spectra as a function of the quantum dot height, diameter, and As versus P concentration. The atomistic tight-binding parameters for InAs and InP in the wurtzite crystal phase were obtained by ab initio methods corrected by empirical band gaps. The low energy electron and hole states form electronic shells similar to parabolic or cylindrical quantum confinement, only weakly affected by hexagonal symmetry and As fluctuations. The relative alignment of the emission lines from excitons, trions, and biexcitons agrees with that for InAs/InP dots in the zincblende phase in that biexcitons and positive trions are only weakly bound. The random distribution of As atoms leads to dot-to-dot fluctuations of a few meV for the single-particle states and the spectral lines. Due to the high symmetry of hexagonal InAsP nanowire quantum dots the exciton fine structure splitting is found to be small, of the order a few $\ensuremath{\mu}\mathrm{eV}$ with significant random fluctuations in accordance with experiments.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| 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 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".