Frustrated fcc antiferromagnet<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Ba</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>YOsO</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>: Structural characterization, magnetic properties, and neutron scattering studies
Why this work is in the frame
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Bibliographic record
Abstract
We report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite ${\mathrm{Ba}}_{2}{\mathrm{YOsO}}_{6}$. The $Fm\overline{3}m$ space group is found both at 290 K and 3.5 K with cell constants ${a}_{0}=8.3541(4)$ \AA{} and $8.3435(4)$ \AA{}, respectively. ${\mathrm{Os}}^{5+} (5{d}^{3})$ ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature $\ensuremath{\theta}\ensuremath{\sim}\ensuremath{-}700$ K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below ${T}_{\mathrm{N}}\ensuremath{\sim}69$ K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) ${\ensuremath{\mu}}_{B}$ on ${\mathrm{Os}}^{5+}$. The ordered moment is much reduced from either the expected spin-only value of $\ensuremath{\sim}3 {\ensuremath{\mu}}_{B}$ or the value appropriate to $4{d}^{3} {\mathrm{Ru}}^{5+}$ in isostructural ${\mathrm{Ba}}_{2}{\mathrm{YRuO}}_{6}$ of 2.2(1) ${\ensuremath{\mu}}_{B}$, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at $T=67.45$ K, and the existence of a second-ordered state. Time-of-flight inelastic neutron results reveal a large spin gap $\ensuremath{\Delta}\ensuremath{\sim}17$ meV, unexpected for an orbitally quenched, ${d}^{3}$ electronic configuration. We discuss this in the context of the $\ensuremath{\sim}5$ meV spin gap observed in the related ${\mathrm{Ru}}^{5+},\phantom{\rule{0.16em}{0ex}}4{d}^{3}$ cubic double perovskite ${\mathrm{Ba}}_{2}{\mathrm{YRuO}}_{6}$, and attribute the $\ensuremath{\sim}3$ times larger gap to stronger SOC present in this heavier, $5d$, osmate system.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.003 |
| Meta-epidemiology (broad) | 0.001 | 0.002 |
| Bibliometrics | 0.000 | 0.002 |
| Science and technology studies | 0.002 | 0.002 |
| Scholarly communication | 0.002 | 0.002 |
| Open science | 0.002 | 0.003 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.122 | 0.002 |
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