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Record W3119479387 · doi:10.1103/physrevb.103.024402

Direct determination of the zero-field splitting for the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mrow><mml:mi>Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math> ion in a synthetic polymorph of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Na</mml:mi><mml:mi>Mg</mml:mi><mml:mi>Fe</mml:mi><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="normal">C</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mn>3</mml:mn></mml:msub><mml:mo>·</mml:mo><mml:mn>9</mml:mn><mml:msub><mml:mi mathvariant="normal">H</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="normal">O</mml:mi></mml:mrow></mml:math>: A natural metal-organic framework

2021· article· lv· W3119479387 on OpenAlexaff
Tao Xie, С. Е. Никитин, А. И. Колесников, Eugene Mamontov, Lawrence M. Anovitz, G. Ehlers, Igor Huskić, Tomislav Friščić, A. Podlesnyak

Bibliographic record

VenuePhysical review. B./Physical review. B · 2021
Typearticle
Languagelv
FieldMaterials Science
TopicMagnetism in coordination complexes
Canadian institutionsMcGill University
FundersChemical Sciences, Geosciences, and Biosciences DivisionOak Ridge National LaboratoryBasic Energy SciencesOffice of ScienceU.S. Department of Energy
KeywordsGround statePhysicsMagnetismInelastic neutron scatteringExcited stateMagnetizationEnergy (signal processing)CrystallographyZero (linguistics)AnisotropyCondensed matter physicsMagnetic fieldAtomic physicsScatteringChemistryNeutron scatteringQuantum mechanics

Abstract

fetched live from OpenAlex

We employed inelastic neutron scattering (INS), specific heat, and magnetization analysis to study the magnetism in a synthetic polymorph of the quasi-two-dimensional natural metal-organic framework material, stepanovite $\mathrm{Na}\mathrm{Mg}\mathrm{Fe}{({\mathrm{C}}_{2}{\mathrm{O}}_{4})}_{3}\ifmmode\cdot\else\textperiodcentered\fi{}9{\mathrm{H}}_{2}\mathrm{O}$. No long-range magnetic order can be observed down to 0.5 K. The INS spectra show two dispersionless excitations at energy transfer 0.028(1) and 0.050(1) meV at base temperature, which are derived from the magnetic transitions between zero-field splitting (ZFS) of $S\phantom{\rule{4pt}{0ex}}=5/2$ ground state multiplets of ${\mathrm{Fe}}^{3+}$ ion. Further analysis of the INS results shows that the ${\mathrm{Fe}}^{3+}$ ion has an easy-axis anisotropy with axial ZFS parameter $D=\ensuremath{-}0.0128(5)$ meV and rhombic parameter $E=0.0014(5)$ meV. The upward behavior at zero field and Schottky-like peak under magnetic field of the low-temperature magnetic specific heat further support the INS results. Our results clearly reveal the magnetic ground and excited state of this stepanovite polymorph.

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)0.013
metaresearch head score (Gemma)0.017
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch, Meta-epidemiology (narrow), Meta-epidemiology (broad), Science and technology studies, Scholarly communication, Open science, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Open science, Research integrity, Insufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.887
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0130.017
Meta-epidemiology (narrow)0.0060.011
Meta-epidemiology (broad)0.0030.013
Bibliometrics0.0030.010
Science and technology studies0.0090.010
Scholarly communication0.0080.009
Open science0.0150.013
Research integrity0.0110.011
Insufficient payload (model declined to judge)0.7600.009

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 head0.017
GPT teacher head0.263
Teacher spread0.246 · 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

Citations3
Published2021
Admission routes1
Has abstractyes

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Same venuePhysical review. B./Physical review. BSame topicMagnetism in coordination complexesFrench-language works237,207