Structure and properties of novel antiferroelectric PbHfO <sub>3</sub> -Pb(Mg <sub>1/2</sub> W <sub>1/2</sub> )O <sub>3</sub> single crystals grown from high-temperature solution
Bibliographic record
Abstract
Abstract Antiferroelectric (AFE) materials with perovskite structure have attracted great interest due to their distinctive structural complexity and useful physical properties. So far, most studies have focused on polycrystalline materials. Compared with the preparation of ceramics and films, the growth of Pb-based AFE single crystals with high quality is a more challenging task because of the high melting point, incongruently melting and the volatilization of Pb-containing components at high temperatures. In order to develop new antiferroelectric materials for energy storage applications and understanding the mechanisms of phase transitions and domain structure, single crystals of a new AFE-AFE solid solution of PbHfO 3 -Pb(Mg 1/2 W 1/2 )O 3 (PHf-PMW) were successfully grown for the first time by the high-temperature solution growth method using the mixtures of PbO-B 2 O 3 and Pb 3 O 4 -B 2 O 3 as complex flux, respectively, and the grown crystals were characterized in terms of their crystal structure, dielectric properties and domain structure. It was found that Pb 3 O 4 as the main flux component is more favorable than PbO as it lowers the melting point of the system and provides a more stable growth, leading to PHf-PMW crystals of larger size, better quality, higher optical transparency and less defects or inclusions. The structural analysis by XRD shows an orthorhombic Pbam symmetry at room temperature for the grown crystals, which is of antiferroelectric nature. By comparing the sequence and temperature of the phase transitions to the PHf-PMW ceramics, the compositions of the grown crystals are estimated to be 0.99PHf-0.01PMW and 0.985PHf-0.015PMW, respectively. Compositional segregation is observed in the grown crystals, which can be attributed to the incongruently melting character on the one hand, and the differences in the ionic radius and electronegativity of the oxygen anion and various B-site cations in the crystal lattice on the other hand. The observation and analysis of the ferroic domains by polarized light microscopy based on optical crystallography reveal domain structures consisting of two sets of domains with extinction directions parallel to the 〈110〉 cub direction, confirming the orthorhombic symmetry. This work provides new experimental strategies in growing the high-quality antiferroelectric crystals of complex perovskite structure and a better understanding of their structure and properties for both fundamental studies and potential applications in optoelectronics and energy storage.
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How this classification was reachedexpand
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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.000 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.002 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.002 | 0.001 |
| 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 itClassification
machine, unvalidatedMachine predicted; both teacher heads agree on what is shown here.
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".