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Record W2321333765 · doi:10.1021/jp509761c

Study of the Structural Characteristics of 3d Metals Cr, Mn, Fe, Co, Ni, and Cu Implanted in ZnO and TiO<sub>2</sub>—Experiment and Theory

2014· article· en· W2321333765 on OpenAlex
Brett Leedahl, D. A. Zatsepin, Danil W. Boukhvalov, E.Z. Kurmaev, R. J. Green, Ivan S. Zhidkov, S. S. Kim, L. Cui, Н. В. Гаврилов, S. O. Cholakh, A. Moewes

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.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2014
Typearticle
Languageen
FieldMaterials Science
TopicZnO doping and properties
Canadian institutionsUniversity of Saskatchewan
FundersRussian Academy of SciencesRussian Foundation for Basic ResearchNatural Sciences and Engineering Research Council of CanadaMinistry of Education and Science of the Russian FederationCanada Research Chairs
KeywordsDopantSpintronicsMaterials scienceDensity functional theoryAlloyDopingMetalCrystal structureChemical physicsCondensed matter physicsCrystallographyComputational chemistryMetallurgyChemistryOptoelectronicsFerromagnetismPhysics

Abstract

fetched live from OpenAlex

Herein we systematically study a range of dopants (Cr, Fe, Ni, Cu, and an MnCo alloy) in ZnO and TiO 2 using several X-ray spectroscopic techniques. We identify the dopant’s local environment and interaction with the host lattice by employing crystal field multiplet calculations and hence clarify their potential applicability for spintronic technologies. Our density functional theory (DFT) calculations predict a decreasing probability of direct cation (Zn/Ti) substitution by dopant atoms as atomic number increases, as well as a much greater likelihood of metallic clustering in TiO 2 . Our spectroscopic measurements confirm that in all cases, except Mn, metallic clusters of dopant atoms form in the TiO 2 crystal lattice, thus making it unfit for spintronic capabilities. On the other hand, in ZnO, the dopants substitute directly into zinc sites, which is promising for spintronic technologies.

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 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 score0.016
Threshold uncertainty score0.197

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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)0.0000.000

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 head0.012
GPT teacher head0.252
Teacher spread0.240 · 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