Crystal-Field Splitting and Correlation Effect on the Electronic Structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>A</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>IrO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>
Bibliographic record
Abstract
The electronic structure of the honeycomb lattice iridates ${\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}$ and ${\mathrm{Li}}_{2}{\mathrm{IrO}}_{3}$ has been investigated using resonant inelastic x-ray scattering (RIXS). Crystal-field-split $d\mathrm{\text{\ensuremath{-}}}d$ excitations are resolved in the high-resolution RIXS spectra. In particular, the splitting due to noncubic crystal fields, derived from the splitting of ${j}_{\mathrm{eff}}=3/2$ states, is much smaller than the typical spin-orbit energy scale in iridates, validating the applicability of ${j}_{\mathrm{eff}}$ physics in ${A}_{2}{\mathrm{IrO}}_{3}$. We also find excitonic enhancement of the particle-hole excitation gap around 0.4 eV, indicating that the nearest-neighbor Coulomb interaction could be large. These findings suggest that both ${\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}$ and ${\mathrm{Li}}_{2}{\mathrm{IrO}}_{3}$ can be described as spin-orbit Mott insulators, similar to the square lattice iridate ${\mathrm{Sr}}_{2}{\mathrm{IrO}}_{4}$.
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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 | 0.001 |
| 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 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.006 | 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".