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Record W4320857354 · doi:10.1021/jacs.2c11324

Bonding and Suppression of a Magnetic Phase Transition in EuMn<sub>2</sub>P<sub>2</sub>

2023· article· en· W4320857354 on OpenAlexafffund
Tanya Berry, Nicodemos Varnava, D. H. Ryan, Veronica Stewart, Riho Rästa, Ivo Heinmaa, Nitesh Kumar, Walter Schnelle, Rishi Bhandia, Chris Pasco, N. P. Armitage, Raivo Stern, Claudia Felser, David Vanderbilt, Tyrel M. McQueen

Bibliographic record

VenueJournal of the American Chemical Society · 2023
Typearticle
Languageen
FieldMaterials Science
TopicMagnetic and transport properties of perovskites and related materials
Canadian institutionsMcGill University
FundersH2020 European Research CouncilNatural Sciences and Engineering Research Council of CanadaNational Science FoundationEesti TeadusagentuurEuropean Regional Development FundDeutsche ForschungsgemeinschaftFonds Québécois de la Recherche sur la Nature et les Technologies
KeywordsChemistryPhase transitionNuclear magnetic resonanceCrystallographyCondensed matter physicsPhysics

Abstract

fetched live from OpenAlex

Electrons in solids often adopt complex patterns of chemical bonding driven by the competition between energy gains from covalency and delocalization, and energy costs of double occupation to satisfy Pauli exclusion, with multiple intermediate states in the transition between highly localized, and magnetic, and delocalized, and nonmagnetic limits. Herein, we report a chemical pressure-driven transition from a proper Mn magnetic ordering phase transition to a Mn magnetic phase crossover in EuMn 2 P 2 the limiting end member of the EuMn 2 X 2 (X = Sb, As, P) family of layered materials. This loss of a magnetic ordering occurs despite EuMn 2 P 2 remaining an insulator at all temperatures, and with a phase transition to long-range Eu antiferromagnetic order at T N ≈ 17 K. The absence of a Mn magnetic phase transition contrasts with the formation of long-range Mn order at T ≈ 130 K in isoelectronic EuMn 2 Sb 2 and EuMn 2 As 2 . Temperature-dependent specific heat and 31 P NMR measurements provide evidence for the development of short-range Mn magnetic correlations from T ≈ 250–100 K, interpreted as a precursor to covalent bond formation. Density functional theory calculations demonstrate an unusual sensitivity of the band structure to the details of the imposed Mn and Eu magnetic order, with an antiferromagnetic Mn arrangement required to recapitulate an insulating state. Our results imply a picture in which long-range Mn magnetic order is suppressed by chemical pressure, but that antiferromagnetic correlations persist, narrowing bands and producing an insulating state.

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 score0.007

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)0.0020.000

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 head0.009
GPT teacher head0.231
Teacher spread0.223 · 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

Citations12
Published2023
Admission routes2
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicMagnetic and transport properties of perovskites and related materialsFrench-language works237,207