Phonon Band Structures and Resonant Scattering in Na<SUB>8</SUB>Si<SUB>46</SUB> and Cs<SUB>8</SUB>Sn<SUB>46</SUB> Clathrates
Why this work is in the frame
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Bibliographic record
Abstract
The low and glasslike thermal conductivity of metal doped semiconductor clathrate compounds makes them potentially high efficiency thermoelectric materials. The cause of this unique and remarkable property has been postulated to be due to resonant scattering of lattice phonons by localized vibrations of the dopants. We present theoretical evidence in support of this hypothesis through the analysis of electronic and vibrational interactions between dopant atoms with the host framework. In particular, the contrasting behavior of two clathrates: the glasslike thermal conductivity in Na8Si46 and the normal behavior in Cs8Sn44 can be rationalized.
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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 | 0.005 | 0.001 |
| Meta-epidemiology (narrow) | 0.006 | 0.006 |
| Meta-epidemiology (broad) | 0.007 | 0.001 |
| Bibliometrics | 0.003 | 0.004 |
| Science and technology studies | 0.004 | 0.003 |
| Scholarly communication | 0.005 | 0.005 |
| Open science | 0.003 | 0.001 |
| Research integrity | 0.003 | 0.002 |
| Insufficient payload (model declined to judge) | 0.005 | 0.001 |
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