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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 TmCo 2 and NdCo 2 Laves phase compounds in the cubic structure MgCu 2 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 TmCo 2 and NdCo 2 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 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)0.000
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 score0.006
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.001
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 head0.017
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 teacher head, not a consensus.

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
Published2020
Admission routes1
Has abstractyes

Explore more

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