Superconductivity in lithium under high pressure investigated with density functional and Eliashberg theory
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Bibliographic record
Abstract
Structural phase transitions and superconducting properties in three phases ($9R$, fcc, and $cI16$) of solid Li are investigated using a pseudopotential plane-wave method based on density functional perturbation theory. In particular, it is shown that phonon softening is responsible for a pressure-induced $\text{fcc}\ensuremath{\rightarrow}cI16$ transition as well as for a significant enhancement of electron-phonon coupling and superconducting transition temperature ${T}_{c}$ preceding this structural transformation. The nature of superconductivity in the fcc and $cI16$ phases is examined by solving the Eliashberg equations with the spectral function ${\ensuremath{\alpha}}^{2}F(\ensuremath{\omega})$ obtained from first-principles calculations and by evaluating the functional derivative $\ensuremath{\delta}{T}_{c}/\ensuremath{\delta}{\ensuremath{\alpha}}^{2}F(\ensuremath{\omega})$. The calculated ${T}_{c}$ reaches a maximum at pressure close to the $\text{fcc}\ensuremath{\rightarrow}cI16$ transition and is significantly reduced in the $cI16$ phase, in agreement with the trend observed experimentally. The variation in ${T}_{c}$ as a function of pressure is explained in terms of the functional derivative and shifts of the spectral weight.
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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) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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