Impact of applied biaxial stress on the piezoelectric, elastic, and dielectric properties of scandium aluminum nitride alloys determined by density functional perturbation theory
Bibliographic record
Abstract
The effects of biaxial in-plane stress on the elastic, dielectric, and piezoelectric (PE) properties of c-axis textured thin film wurtzite phase scandium aluminum nitride (w-ScxAl1−xN) alloys have been calculated with density functional perturbation theory. The in-plane stress σR was kept below 1 GPa covering compressive and tensile values and applied to alloy supercells represented with special quasi-random structures. An increasingly tensile biaxial stress (σR > 0) produces higher displacement-response internal-strain coefficients for the constituent atoms of the alloy and the related PE properties are more sensitive to σR when the fraction x increases. A significant rise of the relative dielectric permittivity ϵr,33η and softening of the stiffness coefficient c33E are also reported with σR > 0. The effective thin film PE strain coefficient d33,f and coupling coefficient k33,f2 show a relative increase of 22% and 26%, respectively, at σR = 1 GPa and x = 0.438. Both tensile σR and x tend to decrease the c/a cell parameter ratio of the wurtzite structure with a significant impact on the PE coefficients. Based on the decomposition of the stiffness, dielectric, and PE coefficients as well as the structural data, it is suggested that tensile biaxial stress enhances the hexagonal character of w-ScxAl1−xN in a qualitatively similar manner as the scandium nitride fraction x does. The manufacture and PE characterization of a beneficially stressed thin film of w-ScxAl1−xN on a substrate of w-InyAl1−yN with adjusted x, y values are suggested to confirm the calculated values of d33,f.
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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) | 0.000 | 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 |
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".