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Record W4406143353 · doi:10.1103/physrevb.111.045120

Weak electron-phonon coupling in layered electrides

2025· article· en· W4406143353 on OpenAlexafffund
Vahid Askarpour, Jesse Maassen

Bibliographic record

VenuePhysical review. B./Physical review. B · 2025
Typearticle
Languageen
FieldChemical Engineering
TopicAmmonia Synthesis and Nitrogen Reduction
Canadian institutionsDalhousie University
FundersNatural Sciences and Engineering Research Council of CanadaAlliance de recherche numérique du CanadaSemiconductor Research Corporation
KeywordsElectronCoupling (piping)Materials scienceCondensed matter physicsPhononChemical physicsPhysicsQuantum mechanics

Abstract

fetched live from OpenAlex

In layered electrides, the conducting electrons fill the two-dimensional interstitial voids between the atomic planes, which is expected to result in weakened electron-phonon coupling and give rise to high mobility and conductivity. In this paper, using density functional theory, we explore the room-temperature electron-phonon scattering and transport properties of seven layered electrides belonging to the alkaline earth subpnictogenide family (${\mathrm{Ca}}_{2}\mathrm{N}, {\mathrm{Sr}}_{2}\mathrm{N}, {\mathrm{Sr}}_{2}\mathrm{P}, {\mathrm{Ba}}_{2}\mathrm{N}, {\mathrm{Ba}}_{2}\mathrm{P}, {\mathrm{Ba}}_{2}\mathrm{As}$, and ${\mathrm{Ba}}_{2}\mathrm{Sb}$) and compare them to three traditional high-conductivity metals (Cu, Au, and Al). Several electrides are found to have low scattering rates compared with the metals, resulting from weak electron-phonon interaction, between 3 and $13\ifmmode\times\else\texttimes\fi{}$ lower than the metals, which is shown to originate from the spatial separation of the conducting electrons from the lattice. ${\mathrm{Sr}}_{2}\mathrm{N}$ and ${\mathrm{Ca}}_{2}\mathrm{N}$ are predicted to be the best conductors among the electrides, with high anisotropy, due to reduced scattering leading to long average mean-free paths for backscattering reaching 48 nm. However, the metals display the highest conductivities owing to their larger distribution of modes, originating from higher electronic velocities. These findings may help guide the discovery of electrides with exceptionally weak electron-phonon coupling and record high conductivity.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.305
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0000.002
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.011
GPT teacher head0.336
Teacher spread0.325 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations2
Published2025
Admission routes2
Has abstractyes

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