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Structures of Insulating Phases of Dense Lithium

2009· article· en· W2066879466 on OpenAlexaff
Yansun Yao, John S. Tse, D. D. Klug

Bibliographic record

VenuePhysical Review Letters · 2009
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Chemical Physics Studies
Canadian institutionsSteacie Institute for Molecular SciencesUniversity of Saskatchewan
Fundersnot available
KeywordsMonoclinic crystal systemOrthorhombic crystal systemLithium (medication)Materials sciencePhase (matter)Condensed matter physicsElectronic band structureDiffractionElectronic structureCrystal structureCrystallographyChemical physicsPhysicsChemistryQuantum mechanics

Abstract

fetched live from OpenAlex

Two high-pressure insulating phases of lithium were predicted using random search and evolutionary algorithm methods with first-principles electronic structure calculations. It is shown that lithium will transform from the metallic cubic cI16 phase to an insulating monoclinic C2 structure at 74 GPa. The C2 structure is the most stable phase up to 91 GPa, where it transforms to a second insulating orthorhombic Aba2 structure. The C2 and Aba2 structures are the first theoretical models explicitly showing the band gap opening in compressed lithium. The theoretical findings are supported by recent experimental evidence from electrical resistance and x-ray diffraction measurements.

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 machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.002
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.000
Science and technology studies0.0000.000
Scholarly communication0.0010.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.014
GPT teacher head0.311
Teacher spread0.297 · 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 source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
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

Citations88
Published2009
Admission routes1
Has abstractyes

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