Space group symmetries of the phases of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">P</mml:mi><mml:msub><mml:mi mathvariant="normal">b</mml:mi><mml:mrow><mml:mn>0.94</mml:mn></mml:mrow></mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:msub><mml:mi mathvariant="normal">r</mml:mi><mml:mrow><mml:mn>0.06</mml:mn></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="normal">Z</mml:mi><mml:msub><mml:mi mathvariant="normal">r</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:mi mathvariant="normal">T</mml:mi><mml:msub><mml:mi mathvariant="normal">i</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>across the antiferrodistortive phase transition in the composition range<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>0.620</mml:mn><mml:mo>≲</mml:mo><mml:mi>x</mml:mi><mml:mo>≲</mml:mo><mml:mn>0.940</mml:mn></mml:mrow></mml:math>
Bibliographic record
Abstract
The existing controversies about the space group symmetries of $\mathrm{Pb}(\mathrm{Z}{\mathrm{r}}_{x}\mathrm{T}{\mathrm{i}}_{1\ensuremath{-}x}){\mathrm{O}}_{3}$ (PZT) above and below the antiferrodistortive (AFD) phase-transition temperature $({T}_{\mathrm{AFD}})$ in the ${\mathrm{Zr}}^{4+}$-rich $(0.620\ensuremath{\lesssim}x\ensuremath{\lesssim}0.940)$ compositions are addressed using the results of dielectric, synchrotron x-ray powder diffraction (SXRPD) and neutron powder diffraction (NPD) studies. These compositions undergo an AFD phase transition above room temperature due to tilting of oxygen octahedra leading to a superlattice phase of PZT. We have substituted 6% ${\mathrm{Sr}}^{2+}$ at a ${\mathrm{Pb}}^{2+}$ site to enhance the tilt angle and thereby the intensity of the superlattice peaks. The real and imaginary parts of the complex dielectric permittivity have been used to locate the paraelectric to ferroelectric and ferroelectric to AFD phase transitions. Rietveld analysis of SXRPD and NPD profiles unambiguously reject the rhombohedral phases in the $R3c$ and $R3m$ space groups below and above ${T}_{\mathrm{AFD}}$, respectively, with or without a coexisting monoclinic phase in the Cm space group and confirm that the true symmetries are monoclinic in the Cc and Cm space groups below and above ${T}_{\mathrm{AFD}}$, respectively. Based on these and previous findings a phase diagram of PSZT for $0.40\ensuremath{\le}x\ensuremath{\le}0.90$ showing stability fields of monoclinic Cc and monoclinic Cm, tetragonal $P4mm$, and cubic $Pm\overline{3}m$ phases has also been presented.
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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 | 0.001 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.002 | 0.001 |
| Science and technology studies | 0.002 | 0.002 |
| Scholarly communication | 0.003 | 0.003 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.062 | 0.009 |
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".