X-ray photoelectron spectroscopy study of the skutterudites<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">La</mml:mi><mml:msub><mml:mi mathvariant="normal">Fe</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">Sb</mml:mi><mml:mn>12</mml:mn></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Ce</mml:mi><mml:msub><mml:mi mathvariant="normal">Fe</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">Sb</mml:mi><mml:mn>12</mml:mn></mml:msub></mml:mrow></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Co</mml:mi><mml:msub><mml:mi mathvariant="normal">Sb</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>, and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Co</mml:mi><mml:msub><mml:mi mathvariant="normal">P</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
Bibliographic record
Abstract
The electronic structure of the skutterudites $\mathrm{Co}{\mathrm{Sb}}_{3}$, $\mathrm{Co}{\mathrm{P}}_{3}$, $\mathrm{La}{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$, and $\mathrm{Ce}{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$ has been investigated with x-ray photoelectron spectroscopy. The binding energies in the pnicogen and transition metal $2p$ spectra are shifted to reflect changes in the bonding character of these compounds. The asymmetric line shapes in the metal $2p$ spectra signal electronic delocalization. A plasmon loss satellite peak occurs in the Co $2p$ spectra of $\mathrm{Co}{\mathrm{Sb}}_{3}$ and $\mathrm{Co}{\mathrm{P}}_{3}$. The intensity of this peak in these and other Co-containing compounds increases with greater occupancy of the Co $3d$ band. The presence of trivalent rare earth was confirmed from the La and Ce $3d$ spectra, both of which contain shake-up satellite peaks. A second satellite peak, attributable to two-core-hole processes, also appears in the La $3d$ spectrum of $\mathrm{La}{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$ but not in $\mathrm{La}{\mathrm{Fe}}_{4}{\mathrm{P}}_{12}$, indicating the involvement of La-Sb covalent bonding and the population of La $4f$ conduction states in the former. This peak is absent in the Ce $3d$ spectrum of $\mathrm{Ce}{\mathrm{Fe}}_{4}{\mathrm{Sb}}_{12}$ because a $4{f}^{1}$ state is located below the Fermi edge. Fitting of the valence band spectra for all four compounds led to the formulations $({\mathrm{Co}}^{3+}){(P{n}^{1\ensuremath{-}})}_{3}$ and $({R}^{3+}){({\mathrm{Fe}}^{2+})}_{4}{({\mathrm{Sb}}^{1\ensuremath{-}})}_{12}$, with the electron deficiency in the rare-earth containing compounds being represented by a hole in the valence band.
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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 | 0.001 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.012 | 0.003 |
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".