Effect of Co doping on the electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">MgCNi</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
Why this work is in the frame
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Bibliographic record
Abstract
Self-consistent full-potential linear muffin-tin orbital band structure calculations of the antiperovskites ${\mathrm{MgCNi}}_{3},$ ${\mathrm{MgCNi}}_{2}\mathrm{Co},$ and ${\mathrm{MgCNiCo}}_{2}$ are presented. It is found that the electronic structure of ${\mathrm{MgCNi}}_{3}$ near the Fermi level is dominated by a Ni $3d$-derived density of states peak just below the Fermi level, which provides the superconducting properties of this compound. The Co doping of ${\mathrm{MgCNi}}_{3}$ is accompanied by a reduction of the density of states at the Fermi level, which seems to be responsible for the reduced superconductivity in the ${\mathrm{MgCNi}}_{1\ensuremath{-}x}{\mathrm{Co}}_{x}$ system. No magnetic solution is found for ${\mathrm{MgCNi}}_{2}\mathrm{Co}$ and ${\mathrm{MgCNiCo}}_{2}.$ This indicates that the hole doping does not produce the magnetic instability which can be responsible for pair breaking. The validity of the band structure calculations is confirmed by x-ray emission (C $K\ensuremath{\alpha},$ Ni ${L}_{2,3},$ and Co ${L}_{2,3})$ and x-ray photoelectron spectra measurements of superconducting ${\mathrm{MgC}}_{1.45}{\mathrm{Ni}}_{3}$ ${(T}_{c}=7.5\mathrm{K})$ and nonsuperconducting ${\mathrm{MgC}}_{1.45}{\mathrm{Ni}}_{1.5}{\mathrm{Co}}_{1.5}.$
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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 | 0.002 | 0.002 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.002 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.002 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.002 | 0.002 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.799 | 0.005 |
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