Electronic Structure of FeSe<sub>1–<i>x</i></sub>Te<sub><i>x</i></sub> Studied by X-ray Spectroscopy and Density Functional Theory
Bibliographic record
Abstract
We study the electronic properties of the FeSe 1– x Te x system ( x = 0, 0.25, 0.5, 0.75, and 1) from the perspective of X-ray spectroscopy and density functional theory (DFT). The analysis performed on the density of states reveals marked differences in the distribution of the 5p states of Te for x > 0. We think that this finding can be associated with the fact that superconductivity is suppressed in FeTe. Moreover, using resonant inelastic X-ray scattering, we estimate the spin state of our system which can be correlated to the magnetic order. We find that the spin state of the FeSe 1– x Te x system fluctuates, as a function of x, between S = 0 and S = 2 with Fe in FeSe in the highest spin state. Finally, our DFT calculations nicely reproduce the X-ray emission spectra performed at the Fe L -edge (which probe the occupied states) and suggest that the FeSe 1– x Te x system can be considered at most as a moderately correlated system.
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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 | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".