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Record W4378173439 · doi:10.1038/s41467-023-38504-7

Rotational and dilational reconstruction in transition metal dichalcogenide moiré bilayers

2023· article· en· W4378173439 on OpenAlexfundno aff
Madeline Van Winkle, Isaac M. Craig, Stephen Carr, Medha Dandu, Karen C. Bustillo, Jim Ciston, Colin Ophus, Takashi Taniguchi, Kenji Watanabe, Archana Raja, Sinéad M. Griffin, D. Kwabena Bediako

Bibliographic record

VenueNature Communications · 2023
Typearticle
Languageen
FieldMaterials Science
TopicSupramolecular Self-Assembly in Materials
Canadian institutionsnot available
FundersLawrence Berkeley National LaboratoryArmy Research OfficeBasic Energy SciencesAir Force Research LaboratoryDivision of Materials ResearchOffice of Naval ResearchCanadian Institute for Advanced ResearchJapan Society for the Promotion of ScienceOffice of ScienceMinistry of Education, Culture, Sports, Science and TechnologyNational Energy Research Scientific Computing CenterNational Defense Science and Engineering GraduateGordon and Betty Moore FoundationW. M. Keck FoundationU.S. Department of EnergyU.S. Department of DefenseNational Science Foundation
KeywordsMaterials scienceTransition metalMoiré patternNanotechnologyOpticsChemistryPhysics

Abstract

fetched live from OpenAlex

Abstract Lattice reconstruction and corresponding strain accumulation plays a key role in defining the electronic structure of two-dimensional moiré superlattices, including those of transition metal dichalcogenides (TMDs). Imaging of TMD moirés has so far provided a qualitative understanding of this relaxation process in terms of interlayer stacking energy, while models of the underlying deformation mechanisms have relied on simulations. Here, we use interferometric four-dimensional scanning transmission electron microscopy to quantitatively map the mechanical deformations through which reconstruction occurs in small-angle twisted bilayer MoS 2 and WSe 2 /MoS 2 heterobilayers. We provide direct evidence that local rotations govern relaxation for twisted homobilayers, while local dilations are prominent in heterobilayers possessing a sufficiently large lattice mismatch. Encapsulation of the moiré layers in hBN further localizes and enhances these in-plane reconstruction pathways by suppressing out-of-plane corrugation. We also find that extrinsic uniaxial heterostrain, which introduces a lattice constant difference in twisted homobilayers, leads to accumulation and redistribution of reconstruction strain, demonstrating another route to modify the moiré potential.

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)0.001
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: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.590
Threshold uncertainty score0.482

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.021
GPT teacher head0.298
Teacher spread0.277 · 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.

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

Citations57
Published2023
Admission routes1
Has abstractyes

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