First-principle study of the optoelectronic properties of Ga<sub>x</sub>In<sub>1-x</sub>Bi<sub>y</sub>P<sub>1-y</sub> quaternary alloys lattice-matched to InP for telecommunication applications
Bibliographic record
Abstract
In this work, we present a theoretical investigation of the structural and optoelectronic properties of Ga x In 1-x Bi y P 1-y quaternary alloys lattice-matched to InP using the full-potential linearized augmented plane wave approach based on the functional theory of density. The local density approximation (LDA) and the generalized gradient approximation of Wu–Cohen (WC-GGA) have been used for calculating the structural properties of Ga x In 1-x Bi y P 1-y quaternaries. The lattice matching condition and the range of ( x, y) concentrations for which the quaternary alloys are lattice-matched to InP substrate were determined. It is found that the calculated lattice constants of Ga x In 1-x Bi y P 1-y for all selected concentrations ( x, y) are about 5.9 Å, which are in good agreement with the experimental value of the lattice constant of InP (5.869 Å). The electronic property calculations are executed via EV-GGA and TB-mBJ approximations. The calculated band structures show that Ga x In 1-x Bi y P 1-y quaternaries have semiconductor character and exhibit a direct band gap, for all selected concentrations ( x, y). In addition, the optical properties were calculated and discussed in detail. And also, the optical band gaps of quaternaries were determined using Tauc's method. We observed that the Ga x In 1-x Bi y P 1-y quaternaries cover the wavelength ranging from 0.911 to 2.456 µm while maintaining a lattice match to the InP substrate. The obtained results reveal that these quaternaries are suitable candidates for telecommunication applications.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".