Synthesis and characterization of the novel breathing pyrochlore compound <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>Ba</mml:mi> <mml:mn>3</mml:mn> </mml:msub> <mml:msub> <mml:mi>Tm</mml:mi> <mml:mn>2</mml:mn> </mml:msub> <mml:msub> <mml:mi>Zn</mml:mi> <mml:mn>5</mml:mn> </mml:msub> <mml:msub> <mml:mi mathvariant="normal">O</mml:mi> <mml:mn>11</mml:mn> </mml:msub> </mml:mrow> </mml:math>
Bibliographic record
Abstract
In this study, a novel material from the rare-earth based breathing pyrochlore family, ${\mathrm{Ba}}_{3}{\mathrm{Tm}}_{2}{\mathrm{Zn}}_{5}{\mathrm{O}}_{11}$, was successfully synthesized. Powder x-ray diffraction and high-resolution powder neutron diffraction confirmed phase purity and the $F\overline{4}3m$ breathing pyrochlore crystal structure, while thermogravimetric analysis revealed incongruent melting behavior compared to its counterpart, ${\mathrm{Ba}}_{3}{\mathrm{Yb}}_{2}{\mathrm{Zn}}_{5}{\mathrm{O}}_{11}$. High-quality single crystals of ${\mathrm{Ba}}_{3}{\mathrm{Tm}}_{2}{\mathrm{Zn}}_{5}{\mathrm{O}}_{11}$ were grown using the traveling solvent floating zone technique and assessed using Laue x-ray diffraction and single crystal x-ray diffraction. Thermodynamic characterization indicated paramagnetic behavior down to 0.05 K, and inelastic neutron scattering measurements identified distinct dispersionless crystal electric field energy bands, with the fitted crystal electric field model predicting a single-ion singlet ground state and an energy gap of $\ensuremath{\sim}9\phantom{\rule{0.16em}{0ex}}\mathrm{meV}$ separating it from the first excited (singlet) state. Additional low-energy excitation studies on single crystals revealed dispersionless bands at 0.8 and 1 meV. Computed phonon dispersions from first-principles calculations ruled out phonons as the origin of these modes, further illustrating the puzzling and unique properties of ${\mathrm{Ba}}_{3}{\mathrm{Tm}}_{2}{\mathrm{Zn}}_{5}{\mathrm{O}}_{11}$.
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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 | 0.006 | 0.003 |
| Meta-epidemiology (narrow) | 0.004 | 0.007 |
| Meta-epidemiology (broad) | 0.002 | 0.007 |
| Bibliometrics | 0.002 | 0.005 |
| Science and technology studies | 0.005 | 0.005 |
| Scholarly communication | 0.006 | 0.006 |
| Open science | 0.008 | 0.008 |
| Research integrity | 0.005 | 0.005 |
| Insufficient payload (model declined to judge) | 0.512 | 0.006 |
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".