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>
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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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".