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Record W4307023554 · doi:10.1088/1402-4896/ac9ca0

New magnesium based half-metallic ferromagnetic chalcogenide MgFe <sub>2</sub> Z <sub>4</sub> (Z = S, Se) spinels; a promising materials for spintronic applications

2022· article· en· W4307023554 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenuePhysica Scripta · 2022
Typearticle
Languageen
FieldMaterials Science
TopicHeusler alloys: electronic and magnetic properties
Canadian institutionsSimon Fraser University
Fundersnot available
KeywordsFerromagnetismMaterials scienceCurie temperatureCondensed matter physicsSeebeck coefficientThermoelectric effectGround stateSpintronicsDensity functional theoryThermoelectric materialsThermal conductivityPhysicsAtomic physicsThermodynamicsChemistryComputational chemistry

Abstract

fetched live from OpenAlex

Abstract This article focuses on the physical properties of MgFe 2 Z 4 (Z = S, Se) spinels investigated by employing density functional theory calculations. To explore the magnetic and electronic properties, WIEN2k code was executed whereas thermoelectric properties were studied using the BoltzTraP. The determined negative formation energies and positive phonon frequencies show that the system under investigation is stable. The lowest possible ground state energies clearly indicate that spinels lie in ferromagnetic state. Studied spinels illustrated half-metallic nature upon employing the calculations of density of states (DOS) and spin-polarized band structures (BS). Ferromagnetic (FM) state was found to be stable ground state. Observation of ferromagnetism in these compounds was ensured by exchange energies, Jahn-Teller energy and hybridization and is attributed to electron spin in place of Fe 2+ clustering. Curie temperature and spin polarization of these compounds is also comprehensively investigated in this study. Analysis of the thermoelectric properties showed a good fit between the ratio of electrical ( σ / τ ) and thermal conductivity ( κ e / τ ). Thermoelectric efficiency of studied compounds is found to be appropriate as demonstrated by the thermoelectric power factors.

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.

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 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 score0.024
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.001
Science and technology studies0.0010.000
Scholarly communication0.0000.000
Open science0.0010.001
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 head0.018
GPT teacher head0.231
Teacher spread0.213 · 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