Local Structure Analysis around Ti in Lead Zirconate Titanate by X‐Ray Fluorescence Holography
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Bibliographic record
Abstract
To clarify the mechanism of ferroelectricity in lead zirconate titanate (PZT), the local structure around Ti in a Pb(Zr 0.7 Ti 0.3 )O 3 single crystal is investigated using X‐ray fluorescence holography. The raw hologram data are contaminated by periodic noise due to the fluctuation of the incident X‐ray intensity. The periodical noise is successfully removed using an inverse Fourier transformation method. From the filtered holograms, the atomic images around Ti can be reconstructed clearly. The reconstructions of B‐site cations demonstrate an outward displacement of the neighboring Ti from the ideal B‐site position, indicating an expansion of the local lattice around Ti. In addition, the splitting of Pb images is found, and the relative displacement between Ti and Pb atoms is deduced. These results contribute to the understanding of the local structure of PZT and can reveal the microscopic origins of very high dielectric and piezoelectric responses, which are essential for designing new and improved ferroelectric materials.
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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) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.002 |
| 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)
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 it