Application of positron annihilation and Raman spectroscopies to the study of perovskite type materials
Bibliographic record
Abstract
Defect properties of perovskite type materials, Ba3B′Nb2O9 (where B′=Mg, Zn, or Co), with near-stoichiometric compositions were studied by positron annihilation and Raman spectroscopies. Theoretical simulations of stoichiometric perovskites revealed a dependence of the positron bulk lifetime on the degree of ordering. In Ba3MgNb2O9 (BMN) the positron bulk lifetime for a completely disordered structure is 195 ps versus 237 ps for a completely ordered one. The predicted bulk lifetimes for Ba3ZnNb2O9 (BZN) and Ba3CoNb2O9 (BCN), with Pm3¯m symmetries are 193 ps and 194 ps, respectively. It was found that deviation from stoichiometry results in the appearance of secondary Ba- and Nb-rich phases, which according to theoretical simulations have bulk lifetimes much longer than that of the host material. Positron lifetime spectroscopy was used to monitor changes in the concentration of these second phases. The difference between predicted defect lifetimes and the bulk values for the studied perovskites was less than 70 ps. This and the likely small concentrations made it impossible to discern the presence of point defects in the samples. Raman measurements demonstrated the presence of a particular mode that could be attributed to the formation of a 1:1 phase, the size of which is limited by requirements for charge compensation. The existence of an internal electric field between charged 1:1 nanoregions and the rest of material creates conditions for preferential positron annihilation that influence the obtained positron lifetime values. For BZN type materials it was found that the degree of 1:2 cation ordering decreases by increasing the sintering temperature to above 1400 °C.
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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 | 0.001 |
| 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) | 0.000 | 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; 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".