Band gap and electronic structure of cubic, rhombohedral, and orthorhombic<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>In</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>polymorphs: Experiment and theory
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
Recent studies on ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ have revealed a rich phase diagram and have led to the discovery of new ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ polymorphs, including the synthesis and ambient recovery of Pbcn ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$. The electronic properties of this new phase are studied together with other better-known polymorphs ($Ia\overline{3}$ and $R\overline{3}c$) using soft x-ray absorption and emission spectroscopy, directly probing the partial density of states and transition matrix elements. Together with complementary full-potential all-electron density functional theory calculations, this allows important material parameters, such as the electronic band gap and partial density of states, to be elucidated. Excellent agreement between experiment and theory is obtained, with band gaps of $3.2\ifmmode\pm\else\textpm\fi{}0.3,\phantom{\rule{0.16em}{0ex}}3.1\ifmmode\pm\else\textpm\fi{}0.3$, and $2.9\ifmmode\pm\else\textpm\fi{}0.3$ eV determined for the $Ia\overline{3}$, $R\overline{3}c$, and Pbcn ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ polymorphs, respectively. The effective mass of carriers in Pbcn ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ is predicted to be 12% less than in the widely used $Ia\overline{3}$ polymorph while having a similar effective optical band gap.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.003 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.002 |
| Meta-epidemiology (broad) | 0.001 | 0.002 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.003 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.002 | 0.002 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.183 | 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 it