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)
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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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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 | 0.009 | 0.004 |
| Meta-epidemiology (narrow) | 0.004 | 0.008 |
| Meta-epidemiology (broad) | 0.002 | 0.008 |
| Bibliometrics | 0.002 | 0.005 |
| Science and technology studies | 0.007 | 0.006 |
| Scholarly communication | 0.007 | 0.006 |
| Open science | 0.009 | 0.009 |
| Research integrity | 0.006 | 0.007 |
| Insufficient payload (model declined to judge) | 0.333 | 0.012 |
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