Band gap of InxGa1−xN: A first principles analysis
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Bibliographic record
Abstract
We report first principles analysis of the band gap Eg of ternary group-III nitride InxGa1−xN in both the wurtzite and zincblende form, within the linear muffin-tin orbital (LMTO) density functional theory method. We have implemented the semilocal modified Becke–Johnson (MBJ) exchange potential to accurately determine the band gap. The doping of In atoms into the GaN crystal is handled by the InxGa1−xN alloy model within the coherent potential approximation (CPA). The LMTO-CPA-MBJ approach allows us to predict Eg as a function of arbitrary In concentration x. Quantitative comparison to the experimental data is made.
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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) | 0.001 | 0.000 |
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Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
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