<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>Na</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>as a Novel Relativistic Mott Insulator with a 340-meV Gap
Bibliographic record
Abstract
We study ${\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}$ by angle-resolved photoemission spectroscopy, optics, and band structure calculations in the local-density approximation (LDA). The weak dispersion of the Ir $5d$-${t}_{2g}$ manifold highlights the importance of structural distortions and spin-orbit (SO) coupling in driving the system closer to a Mott transition. We detect an insulating gap ${\ensuremath{\Delta}}_{\mathrm{gap}}\ensuremath{\simeq}340\text{ }\text{ }\mathrm{meV}$ which, at variance with a Slater-type description, is already open at 300 K and does not show significant temperature dependence even across ${T}_{N}\ensuremath{\simeq}15\text{ }\text{ }\mathrm{K}$. An LDA analysis with the inclusion of SO and Coulomb repulsion $U$ reveals that, while the prodromes of an underlying insulating state are already found in $\mathrm{LDA}+\mathrm{SO}$, the correct gap magnitude can only be reproduced by $\mathrm{LDA}+\mathrm{SO}+U$, with $U=3\text{ }\text{ }\mathrm{eV}$. This establishes ${\mathrm{Na}}_{2}{\mathrm{IrO}}_{3}$ as a novel type of Mott-like correlated insulator in which Coulomb and relativistic effects have to be treated on an equal footing.
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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 | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.024 | 0.004 |
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".