Interplay between lattice distortion and spin-orbit coupling in double perovskites
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Bibliographic record
Abstract
We develop anisotropic pseudo-spin antiferromagnetic Heisenberg models for monoclinically distorted double perovskites. We focus on these A${}_{2}$BB${}^{\ensuremath{'}}$O${}_{6}$ materials that have magnetic moments on the $4d$ or $5d$ transition metal B${}^{\ensuremath{'}}$ ions, which form a face-centered cubic lattice. In these models, we consider local $z$-axis distortion of B${}^{\ensuremath{'}}$-O octahedra, affecting relative occupancy of ${t}_{2g}$ orbitals, along with geometric effects of the monoclinic distortion and spin-orbit coupling. The resulting pseudo-spin-$1/2$ models are solved in the saddle-point limit of the Sp($N$) generalization of the Heisenberg model. The spin $S$ in the SU(2) case generalizes as a parameter $\ensuremath{\kappa}$ controlling quantum fluctuation in the Sp($N$) case. We consider two different models that may be appropriate for these systems. In particular, using Heisenberg exchange parameters for La${}_{2}$LiMoO${}_{6}$ from a spin-dimer calculation, we conclude that this pseudo-spin-$1/2$ system may order, but will be very close to a disordered spin liquid state.
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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 | 0.000 | 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 | 0.000 | 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 it