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Record W2953251242 · doi:10.1021/cm500157y

Synthesis, Crystal Structure, and Electronic Properties of the CaRE<sub>3</sub>SbO<sub>4</sub> and Ca<sub>2</sub>RE<sub>8</sub>Sb<sub>3</sub>O<sub>10</sub> phases (RE = Rare-Earth Metal)

2014· article· en· W2953251242 on OpenAlexaff
Scott Forbes, Fang Yuan, Bayrammurad Saparov, Athena S. Sefat, Kosuke Kosuda, Taras Kolodiazhnyi, Yurij Mozharivskyj

Bibliographic record

VenueChemistry of Materials · 2014
Typearticle
Languageen
FieldPhysics and Astronomy
TopicAdvanced Condensed Matter Physics
Canadian institutionsMcMaster University
Fundersnot available
KeywordsTetragonal crystal systemAntimonideElectrical resistivity and conductivityMonoclinic crystal systemCrystal structureMaterials scienceCrystallographyOxideBand gapElectronic structureCondensed matter physicsFermi levelChemistryElectronPhysicsMetallurgy

Abstract

fetched live from OpenAlex

Through high temperature synthesis at 1300 °C and above, our group has discovered and characterized the novel CaRE 3 SbO 4 and Ca 2 RE 8 Sb 3 O 10 phases (RE = Ce–Nd, Sm–Dy for CaRE 3 SbO 4, RE = La–Nd, Sm–Dy for Ca 2 RE 8 Sb 3 O 10 ). This result was motivated by the idea of opening a band gap and introducing structural complexity in the rare-earth antimonide framework by incorporation of rare-earth oxide and calcium oxide. The CaRE 3 SbO 4 phases adopt the tetragonal I 4/ m symmetry while the Ca 2 RE 8 Sb 3 O 10 ones adopt the monoclinic C 2/ m symmetry. These structures show many similarities to the other RE–Sb–O phases discovered recently, particularly to the RE 3 SbO 3 and RE 8 Sb 3 O 8 phases, in which a prolonged heat treatment results in one structure converting to another by elongation of the rare-earth oxide slabs. Electrical resistivity measurements yielded semiconducting properties for both series, despite the unbalanced electron count for Ca 2 RE 8 Sb 3 O 10 and electronic structure calculations that support metallic-type conduction. This unusual behavior is attributed to Anderson-type localization of Sb p states near the Fermi level, which arises from the highly disordered Sb layers in the structure. This Sb disorder was shown to be tunable with respect to the size of the rare-earth used, improving the electrical resistivity by approximately 1 order of magnitude for each rare-earth in the series.

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesMeta-epidemiology (narrow)
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 score0.011
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0000.001
Science and technology studies0.0010.002
Scholarly communication0.0010.001
Open science0.0010.001
Research integrity0.0010.001
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 head0.006
GPT teacher head0.193
Teacher spread0.186 · 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; both teacher heads agree on what is shown here.

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

Citations5
Published2014
Admission routes1
Has abstractyes

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