Charge-transfer effect in hard x-ray<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>1</mml:mn><mml:mi>s</mml:mi></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>2</mml:mn><mml:mi>p</mml:mi></mml:mrow></mml:math>photoemission spectra:<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>DMFT</mml:mi></mml:math>and cluster-model analysis
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
We study $1s$ and $2p$ hard x-ray photoemission spectra (XPS) in a series of late transition metal oxides: ${\mathrm{Fe}}_{2}{\mathrm{O}}_{3}$ ($3{d}^{5}$), ${\mathrm{FeTiO}}_{3}$ ($3{d}^{6}$), CoO ($3{d}^{7}$), and NiO ($3{d}^{8}$). The experimental spectra are analyzed with two theoretical approaches: ${\mathrm{MO}}_{6}$ cluster model and local density approximation (LDA) $+$ dynamical mean-field theory (DMFT). Owing to the absence of the core-valence multiplets and spin-orbit coupling, $1s$ XPS is found to be a sensitive probe of chemical bonding and nonlocal charge-transfer screening, providing complementary information to $2p$ XPS. The $1s$ XPS spectra are used to assess the accuracy of the ab initio $\mathrm{LDA}+\mathrm{DMFT}$ approach, developed recently to study the material-specific charge-transfer effects in core-level XPS.
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 | 0.008 | 0.004 |
| Meta-epidemiology (narrow) | 0.004 | 0.005 |
| Meta-epidemiology (broad) | 0.002 | 0.007 |
| Bibliometrics | 0.001 | 0.004 |
| Science and technology studies | 0.003 | 0.004 |
| Scholarly communication | 0.004 | 0.004 |
| Open science | 0.006 | 0.005 |
| Research integrity | 0.004 | 0.006 |
| Insufficient payload (model declined to judge) | 0.038 | 0.010 |
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