Analysis of ternary AlGaX <sub>2</sub> (X = As, Sb) compounds for opto-electronic and renewable energy devices using density functional theory
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Bibliographic record
Abstract
Abstract Based on the First-principles calculations, we have investigated the opto-electronic properties of AlGaX 2 (X = As, Sb). We find that the AlGaX 2 (X = As, Sb) is energetically stable due to lower formation enthalpy. Additionally, the dynamical stability is also confirmed by phonon calculation and found no-imaginary frequencies in the phonon-spectra. Interestingly, both AlGaAs 2 and AlGaSb 2 compounds possesses semiconductor nature with a direct bandgap of 1.40 eV and 0.70 eV, respectively. For the technological applications of AlGaX 2 (X = As, Sb), we have analyzed optical properties in terms of absorption of photon energy and polarization. A strong absorption peaks are observed in the visible region. Moreover, the thermoelectric properties are calculated in terms of electrical/thermal conductivities, Seebeck coefficient, and figure of merit (ZT). Thermal parameters are critical for determining a material’ thermal stability across the wide range of temperatures. We expect that our calculated properties of AlGaAs 2 and AlGaSb 2 compounds could pave a new route for the applications in the optoelectronics and thermoelectric devices.
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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) | 0.001 | 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)
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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 it