Triple group-V donors in ZnO
Bibliographic record
Abstract
Triple donors have been explored in a few semiconductor materials; however, the conventional effective mass theory treatment fails at short length scales due to the high degree of localization implied by a 3+ nuclear charge. Using density functional theory, we consider the various charge states of group-V elements substituting for the Zn sublattice in ZnO under oxygen-rich conditions. For the case of Sb and Bi substitutional impurities, the (1+/0) charge state transition is shallow and has strong similarities to a (1+/0) charge transition of the more common shallow group III donors such as Ga and Al. We compare these calculations with extensive photoluminescence (PL) measurements that now exist for the Sb-related donor bound exciton in ZnO, which is known to contain substitutional Sb on Zn sites. We present new experimental data on the magneto-PL properties of the Sb-related donor bound exciton. These data confirm the strong similarity of the (+1/0) charge state transition of this center to the common group III shallow donors in ZnO. We propose that the very low binding energy (40.2 meV) of the neutral Sb donor is due to a combination of increased screening due to the two inner donor electrons, as well as the exclusion principle, resulting in a repulsive central cell potential close to the defect core.
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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) | 0.000 | 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) | 0.000 | 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".