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 GaxIn1-xBiyP1-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 GaxIn1-xBiyP1-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 GaxIn1-xBiyP1-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 GaxIn1-xBiyP1-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 GaxIn1-xBiyP1-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 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 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 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".