Theory of metallic double perovskites with spin-orbit coupling and strong correlations: Application to ferrimagnetic Ba<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>2</mml:mn></mml:msub></mml:math>FeReO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow/><mml:mn>6</mml:mn></mml:msub></mml:math>
Bibliographic record
Abstract
We consider a model of the double perovskite Ba${}_{2}$FeReO${}_{6}$, a room-temperature ferrimagnet with correlated and spin-orbit-coupled Re $t$${}_{2g}$ electrons moving in the background of Fe moments stabilized by Hund's coupling. We show that for such $3d/5d$ double perovskites, strong correlations on the $5d$ element (Re) are essential in driving a half-metallic ground state. Incorporating both strong spin-orbit coupling and the Hubbard repulsion on Re leads to a band structure consistent with ab initio calculations. Using our model, we find a large spin polarization at the Fermi level and obtain a semiquantitative understanding of the saturation magnetization of Ba${}_{2}$FeReO${}_{6}$, as well as x-ray magnetic circular dichroism data indicating a significant orbital magnetization. Based on the orbital populations obtained in our theory, we predict a specific doping dependence to the tetragonal distortion accompanying ferrimagnetic order. Finally, the combination of a net magnetization and spin-orbit interactions is shown to induce Weyl nodes in the band structure, and we predict a significant intrinsic anomalous Hall effect in hole-doped Ba${}_{2}$FeReO${}_{6}$. The uncovered interplay of strong correlations and spin-orbit coupling lends partial support to our previous work, which used a local moment description to capture the spin-wave dispersion found in neutron scattering measurements. Our work is of interest in the broader context of understanding metallic double perovskites which are of fundamental importance and of possible relevance to spintronic applications.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.001 |
| Science and technology studies | 0.002 | 0.002 |
| Scholarly communication | 0.002 | 0.002 |
| Open science | 0.003 | 0.002 |
| Research integrity | 0.002 | 0.002 |
| Insufficient payload (model declined to judge) | 0.005 | 0.001 |
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".