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Record W4412403075 · doi:10.1103/knrx-g53z

Trivalent network model for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msup> <mml:mi>d</mml:mi> <mml:mn>3</mml:mn> </mml:msup> </mml:math> transition metal dichalcogenides in the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mn>1</mml:mn> <mml:mi>T</mml:mi> </mml:mrow> </mml:math> structure: Holography from local constraints

2025· article· lv· W4412403075 on OpenAlexafffund

Bibliographic record

VenuePhysical review. B./Physical review. B · 2025
Typearticle
Languagelv
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsBrock University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsAlgorithmComputer science

Abstract

fetched live from OpenAlex

Dimer models are well known as prototypes for locally constrained physics. They describe systems in which every site on a lattice must be attached to one dimer. Loop models are an extension of this idea, with the constraint that two dimers must touch at each site. Here, we present a further generalization where every site must have three dimers attached -- a trivalent network model. As concrete physical realizations, we discuss d$^3$ transition metal dichalcogenides in the 1T structure -- materials with the structural formula MX$_2$ (M = Tc, Re) or AM$'$X$_2$ (A = Li or Na; M$'$ = Mo, W), where X is a chalcogen atom. These materials have a triangular layer of transition metal atoms, each with three valence electrons in $t_{2g}$ orbitals. Each atom forms valence bonds with three of its nearest neighbours. The geometry of the 1T structure imbues each bond with sharp orbital character. We argue that this enforces a ``bending constraint'' so that two dimers attached to the same site cannot be parallel. This leads to a highly structured space of configurations, with alternating bonds along each line of the underlying triangular lattice. There is no dynamics, as constraints forbid local rearrangements of dimers. We construct a phase diagram, identifying configurations that minimize potential energy. We find a rhombus-stripe phase that explains a distortion pattern seen across several materials. Remarkably, the local constraints in this model lead to a simple example of holography. The bonding configuration in the bulk is completely determined by the configuration at the boundary. We recast the model in terms of three Ising chains that are defined on the boundaries of a triangular cluster. As a testable prediction, we propose that a single impurity will generate long-ranged domain walls.

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)0.004
metaresearch head score (Gemma)0.002
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Scholarly communication, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity, Insufficient payload (model declined to judge)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.919
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0040.002
Meta-epidemiology (narrow)0.0020.003
Meta-epidemiology (broad)0.0020.006
Bibliometrics0.0010.003
Science and technology studies0.0020.005
Scholarly communication0.0020.002
Open science0.0040.002
Research integrity0.0020.003
Insufficient payload (model declined to judge)0.0070.002

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 head0.019
GPT teacher head0.286
Teacher spread0.267 · 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; both teacher heads agree on what is shown here.

Study designTheoretical or conceptual
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

Citations1
Published2025
Admission routes2
Has abstractyes

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