Magnetic ground state of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>La</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>Li</mml:mi><mml:mi>Mo</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>: A comparison with other <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mrow><mml:mi>Mo</mml:mi></mml:mrow><mml:mrow><mml:mn>5</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math> (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>S</mml:mi><mml:mo>=</mml:mo><mml:mn>1</mml:mn><mml:mo>/</mml:mo><mml:mn>2</mml:mn></mml:mrow></mml:math>) double perovskites
Bibliographic record
Abstract
${\mathrm{La}}_{2}\mathrm{Li}\mathrm{Mo}{\mathrm{O}}_{6}$ is a double perovskite (DP) with $P{2}_{1}/n$ symmetry based on the ${\mathrm{Mo}}^{5+}$ ion, $4{d}^{1}$, ${{t}_{2\mathrm{g}}}^{1}$, $S=1/2$. It is isostructural with ${\mathrm{Sr}}_{2}\mathrm{Y}\mathrm{Mo}{\mathrm{O}}_{6}$, the magnetic ground state of which is apparently a very unusual collective spin singlet or valence-bond glass state as is the case for cubic ($Fm\text{\ensuremath{-}}3m$) ${\mathrm{Ba}}_{2}\mathrm{Y}\mathrm{Mo}{\mathrm{O}}_{6}$. Initial studies of ${\mathrm{La}}_{2}\mathrm{Li}\mathrm{Mo}{\mathrm{O}}_{6}$ suggested a different ground state from the other DPs but no clear conclusions could be drawn. A more detailed study is presented here including magnetic susceptibility, heat capacity, and elastic neutron-scattering results. This DP is now well characterized as an antiferromagnet, ${T}_{\mathrm{N}}=18\phantom{\rule{0.16em}{0ex}}\mathrm{K}$, via observation of magnetic Bragg peaks in neutron scattering and an anomaly in the magnetic heat capacity. The ordering wave vector is $\mathbit{k}=(1/2\phantom{\rule{4pt}{0ex}}1/2\phantom{\rule{0.16em}{0ex}}0)$, consistent with a type I face-centered-cubic magnetic structure, and the ordered moment on ${\mathrm{Mo}}^{5+}$ is $0.32(11)\phantom{\rule{0.16em}{0ex}}{\ensuremath{\mu}}_{\mathrm{B}}$, much reduced from the spin-only value of $1\phantom{\rule{0.16em}{0ex}}{\ensuremath{\mu}}_{\mathrm{B}}$. The index, $f=|{\ensuremath{\vartheta}}_{c}|/{T}_{\mathrm{N}}\ensuremath{\sim}3$, indicates a low level of frustration. The heat-capacity data above ${T}_{\mathrm{N}}$ can be interpreted in terms of a one-dimensional spin-correlation model, as can the low-temperature data which follow a ${T}^{1}$ power law. This is consistent with an earlier suggestion. The difference with isostructural ${\mathrm{Sr}}_{2}\mathrm{Y}\mathrm{Mo}{\mathrm{O}}_{6}$ is attributed to differences in the local distortion of the Mo--O octahedron and the resulting orbital ordering.
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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 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.003 | 0.004 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.002 | 0.002 |
| Insufficient payload (model declined to judge) | 0.332 | 0.128 |
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".