Structure and magnetic properties of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>S</mml:mi><mml:mo>=</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:math>geometrically frustrated double perovskites<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>La</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>LiReO</mml:mtext></mml:mrow><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>Ba</mml:mtext></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mrow><mml:mtext>YReO</mml:mtext></mml:mrow><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>
Bibliographic record
Abstract
Two B-site ordered double perovskites, ${\text{La}}_{2}{\text{LiReO}}_{6}$ and ${\text{Ba}}_{2}{\text{YReO}}_{6}$, with $S=1$ were investigated as geometrically frustrated antiferromagnets, using x-ray and neutron diffraction, superconducting quantum interference device magnetometry, heat capacity, muon spin relaxation $(\ensuremath{\mu}\text{SR})$, and $^{89}\text{Y}$ magic-angle spinning (MAS) NMR. ${\text{La}}_{2}{\text{LiReO}}_{6}$ has a monoclinic structure $(\text{P}{2}_{1}/\text{n})$ with cell parameters at room temperature; $a=5.58262(22)\text{ }\text{\AA{}}$, $b=5.67582(20)\text{ }\text{\AA{}}$, $c=7.88586(27)\text{ }\text{\AA{}}$, and $\ensuremath{\beta}=90.240(4)\ifmmode^\circ\else\textdegree\fi{}$. A zero-field cooled/field cooled (ZFC/FC) divergence at 50 K was observed in the susceptibility. The ZFC susceptibility is zero below $\ensuremath{\sim}5\text{ }\text{K}$ for polycrystalline samples, suggesting a cooperative singlet ground state but weak moments are induced by cooling in very small fields $\ensuremath{\sim}1\text{ }\text{mT}$. No evidence of long-range ordering is evident in heat capacity, neutron-diffraction, or $\ensuremath{\mu}\text{SR}$ data. The ZF spin dynamics from $\ensuremath{\mu}\text{SR}$ are anomalous and can be fitted to a stretched exponential rather than the Kubo-Toyabe form expected for random frozen spins but the muon spins are decoupled in longitudinal fields (LF), consistent with spin freezing of the fraction of spins relaxing within the muon time scale. The internal fields sensed by the muons are anomalously small, consistent with an electronic spin-singlet state. ${\text{Ba}}_{2}{\text{YReO}}_{6}$ is found to be cubic (Fm3m) with cell parameter $a=8.36278(2)\text{ }\text{\AA{}}$ at 300 K with no change in symmetry at 3.8 K, at variance with the Jahn-Teller theorem for a ${t}_{2\text{g}}^{2}$ configuration for ${\text{Re}}^{5+}$. $^{89}\text{Y}$ MAS NMR shows a single peak indicating that Y/Re site disorder is at most 0.5%. The susceptibility shows two broad peaks around 50 and 25 K but no evidence for long-range order from heat capacity, neutron diffraction, or $\ensuremath{\mu}\text{SR}$. The ZF $\ensuremath{\mu}\text{SR}$ result shows a two-component ground state with both slow and fast relaxations and decoupling results in a 1 kG LF, indicating spin freezing. These results are in sharp contrast to the long-range AF order found in the $S=3/2$ isostructural materials, ${\text{La}}_{2}{\text{LiRuO}}_{6}$ and ${\text{Ba}}_{2}{\text{YRuO}}_{6}$, indicating that the reduction to $S=1$ plays a major role in ground state determination.
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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 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.028 | 0.005 |
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".