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Record W4389663671 · doi:10.1021/acsaelm.3c01198

Thermoelectric Properties of the Chalcopyrite Solid Solutions ZnGe<sub>1–<i>x</i></sub>Sn<sub><i>x</i></sub>P<sub>2</sub>

2023· article· en· W4389663671 on OpenAlexafffund
Daniel Candala Ramírez, Luke T. Menezes, Holger Kleinke

Bibliographic record

VenueACS Applied Electronic Materials · 2023
Typearticle
Languageen
FieldMaterials Science
TopicAdvanced Thermoelectric Materials and Devices
Canadian institutionsNational Institute for Nanotechnology
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsChalcopyriteThermoelectric effectSolid solutionDopingMaterials scienceSeebeck coefficientAnalytical Chemistry (journal)Electronic band structureFermi levelCrystal structureCondensed matter physicsThermal conductivityElectrical resistivity and conductivityPhononScatteringThermoelectric materialsValence (chemistry)CrystallographyChemistryElectronThermodynamicsMetallurgyCopperOpticsOptoelectronicsPhysicsComposite material

Abstract

fetched live from OpenAlex

To investigate whether environmentally benign chalcopyrite phosphides may be used in the thermoelectric energy conversion, the solid solution ZnGe 1– x Sn x P 2 was prepared by ball-milling, followed by hot-pressing with x = 0, 0.25, 0.5, 0.75, and 1. Despite the comparably light constituent elements and the simple crystal structure, the room temperature thermal conductivity went below 3 W m –1 K –1 in the middle of the series ( x = 0.5), where the phonon scattering caused by the alloying effect was maximized. Band structure engineering can be employed to enhance the band degeneracies either at the top of the valence band or at the bottom of the conduction band by varying x (the Sn content). Boltztrap calculations revealed that high power factor values can be achieved on either side of the Fermi level. Combining these results assuming a constant relaxation time with the experimental thermal conductivity data confirmed that zT values in excess of unity could theoretically be obtained at 900 K for all members at different doping levels; for p-doping, the highest zT of 1.7 was predicted to for ZnGe 0.5 Sn 0.5 P 2, and for n-doping, a peak zT of 1.4 was predicted for ZnGeP 2 . It remains to be seen whether these doping levels can be experimentally obtained.

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 score0.001
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
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
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 head0.218
Teacher spread0.203 · 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

Citations1
Published2023
Admission routes2
Has abstractyes

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