Multiple structural components and their competition in the intermediate state of antiferroelectric <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Pb</mml:mi><mml:mo>(</mml:mo><mml:mi>Zr</mml:mi><mml:mo>,</mml:mo><mml:mi>Ti</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
Bibliographic record
Abstract
Antiferroelectric perovskites form an important family of functional electric materials, which have high potential in energy storage and conversion applications. However, a full understanding of their crystal structural formation is still lacking. ${\mathrm{PbZrO}}_{3}$-based materials can serve as a model system for investigation, not only because ${\mathrm{PbZrO}}_{3}$ was the first discovered antiferroelectric, but also because it undergoes a typical phase transition sequence from a high-temperature paraelectric to the low-temperature antiferroelectric phase, passing through a possible intermediate phase that is poorly understood. Here we employ a combination of optical and scattering experiments and theoretical calculations to reveal the nature of the intermediate state. Evidence is found that this peculiar state consists of multiple short-range and long-range structural components, and their competition is crucial in stabilizing the antiferroelectric phase. External stimuli such as temperature change or chemical substitution can easily alter each component's energy landscape and thereby change the materials' electrical properties. These findings provide insights into understanding antiferroelectric-ferroelectric competition and can be useful in designing alternative antiferroelectric materials.
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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 | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.007 | 0.001 |
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".