Spin-orbit coupling controlled ground states in the double perovskite iridates <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>A</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>B</mml:mi></mml:mrow><mml:msub><mml:mi mathvariant="normal">IrO</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:math> (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>A</mml:mi><mml:mo>=</mml:mo></mml:mrow></mml:math> Ba, Sr; <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>B</mml:mi><mml:mo>=</mml:mo></mml:mrow></mml:math> Lu, Sc)
Bibliographic record
Abstract
Iridates with the $5{d}^{4}$ electronic configuration have attracted recent interest due to reports of magnetically ordered ground states despite longstanding expectations that their strong spin-orbit coupling would generate a $J=0$ electronic ground state for each ${\mathrm{Ir}}^{5+}$ ion. The major focus of prior research has been on the double perovskite iridates ${\mathrm{Ba}}_{2}{\mathrm{YIrO}}_{6}$ and ${\mathrm{Sr}}_{2}{\mathrm{YIrO}}_{6}$, where the nature of the ground states (i.e., ordered vs nonmagnetic) is still controversial. Here, we present neutron powder diffraction, high-energy-resolution fluorescence-detected x-ray absorption spectroscopy (HERFD-XAS), resonant inelastic x-ray scattering (RIXS), magnetic susceptibility, and muon spin relaxation data on the related double perovskite iridates ${\mathrm{Ba}}_{2}{\mathrm{LuIrO}}_{6}, {\mathrm{Sr}}_{2}{\mathrm{LuIrO}}_{6}, {\mathrm{Ba}}_{2}{\mathrm{ScIrO}}_{6}$, and ${\mathrm{Sr}}_{2}{\mathrm{ScIrO}}_{6}$ that enable us to gain a general understanding of the electronic and magnetic properties for this family of materials. Our HERFD-XAS and RIXS measurements establish $J=0$ electronic ground states for the ${\mathrm{Ir}}^{5+}$ ions in all cases, with similar values for Hund's coupling ${J}_{\mathrm{H}}$ and the spin-orbit coupling constant ${\ensuremath{\lambda}}_{\mathrm{SOC}}$. Our bulk susceptibility and muon spin relaxation data find no evidence for long-range magnetic order or spin freezing, but they do exhibit weak magnetic signals that are consistent with extrinsic local moments. Our results indicate that the large ${\ensuremath{\lambda}}_{\mathrm{SOC}}$ is the key driving force behind the electronic and magnetic ground states realized in the $5{d}^{4}$ double perovskite iridates, which agrees well with conventional wisdom.
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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 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.011 | 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 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".