Conductance,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>I</mml:mi><mml:mo>−</mml:mo><mml:mi>V</mml:mi></mml:math>curves, and negative differential resistance of carbon atomic wires
Why this work is in the frame
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Bibliographic record
Abstract
We report on a first-principles analysis of transport properties of carbon atomic wires in contact with two metallic electrodes under external bias. The equilibrium conductance of the atomic wires is found to be sensitive to two factors: charge transfer doping, which aligns the Fermi level of the electrodes to the lowest unoccupied molecular orbital (LUMO) of the carbon chain, and the overlapping of scattering states to the LUMO. The conductance is also affected by the crystalline orientation of the electrodes. The low-bias current-voltage $(I\ensuremath{-}V)$ characteristic is linear, but a negative differential resistance is observed at higher bias due to a shift of conduction channels relative to the states of the electrodes by the external bias potential. Our first-principles results give a clear physical picture of the molecule-electrode coupling, which is the controlling factor of electric conduction through the carbon atomic wires.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 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 it