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Record W3089752471 · doi:10.1002/qua.26488

Theoretical study of magneto‐electronic properties of <scp>TmCo<sub>2</sub></scp> and <scp>NdCo<sub>2</sub></scp> intermetallic compounds through density functional theory calculations

2020· article· en· W3089752471 on OpenAlexaff
Benaissa Abdelghani, Ali Bentouaf, Brahim Aïssa, B. Abbar

Bibliographic record

VenueInternational Journal of Quantum Chemistry · 2020
Typearticle
Languageen
FieldPhysics and Astronomy
TopicRare-earth and actinide compounds
Canadian institutionsMPB Technologies & Communications (Canada)
Fundersnot available
KeywordsWIEN2kDensity functional theoryIntermetallicElectronic structureLattice constantFerromagnetismMagnetic momentLaves phaseElectronic band structurePlane waveCondensed matter physicsChemistryMaterials scienceThermodynamicsComputational chemistryLocal-density approximationPhysicsQuantum mechanicsMetallurgy

Abstract

fetched live from OpenAlex

Abstract The physical properties of the electronic structure of TmCo2 and NdCo2 Laves phase compounds in the cubic structure MgCu2 were investigated using the functional density theory (DFT) under the linearized augmented plane wave method with full potential (FP‐LAPW) incorporated into the Wien2k software. In addition, the Hubbard (U) potential, was applied in studying these compounds to treat the correlation effects. The obtained lattice parameters were in good agreement with those found in the relevant literature, besides, there are not values available to make the comparison for the magnetic moments. The Hubbard parameter was applied, and has led to remarkable results for these quantities. Finally, the band structures and the state densities (DOS) of these two compounds were also calculated, where the DOS confirmed the ferromagnetic state of the TmCo2 and NdCo2 intermetallic binary for the two approximations.

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)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.008
Threshold uncertainty score0.017

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.001
Open science0.0010.000
Research integrity0.0010.000
Insufficient payload (model declined to judge)0.0030.000

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 head0.017
GPT teacher head0.231
Teacher spread0.215 · 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 designSimulation or modeling
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
Published2020
Admission routes1
Has abstractyes

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