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Predicting moiré physics from local proximity effects in van der Waals heterostructures
Article
Cvitkovich, Lukas
, Zollner, Klaus
and Fabian, Jaroslav
(2026)
Predicting moiré physics from local proximity effects in van der Waals heterostructures.
npj Computational Materials 12, p. 322.
DOI to cite this document: 10.5283/epub.80833
Abstract
While proximity-induced magnetism in van der Waals (vdW) heterostructures is often treated as uniform or analytically predictable, we reveal significant spatial fluctuations that challenge conventional modeling. Through a case study of graphene on Cr₂Ge₂Te₆ (CGT), we reveal a profound decoupling between pseudospin-governed polarization and the highly localized nature of induced atomic moments. We ...
While proximity-induced magnetism in van der Waals (vdW) heterostructures is often treated as uniform or analytically predictable, we reveal significant spatial fluctuations that challenge conventional modeling. Through a case study of graphene on Cr₂Ge₂Te₆ (CGT), we reveal a profound decoupling between pseudospin-governed polarization and the highly localized nature of induced atomic moments. We resolve this dependency using a machine learning framework trained on density functional theory (DFT) data. By employing atomic environment descriptors, we demonstrate that proximity effects are dictated by the local stacking configuration within ~2 nm², enabling the discovery of complex moiré patterns and dodecagonal states—features that remain computationally prohibitive for standard DFT. This study provides a scalable method for the precise engineering of proximity-driven phenomena in next-generation quantum materials.
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Details
| Item type | Article | ||||
| Journal or Publication Title | npj Computational Materials | ||||
| Publisher | Springer | ||||
| Open Access Type | DEAL (Springer Gold) | ||||
| Volume | 12 | ||||
| Page Range | p. 322 | ||||
| Date | 29 September 2026 | ||||
| Date of publication | 01 Oct 2026 05:43 | ||||
| Institutions | Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Jaroslav Fabian | ||||
| Projects |
Funded by:
Deutsche Forschungsgemeinschaft (DFG)
(443416183)
Funded by:
Deutsche Forschungsgemeinschaft (DFG)
(314695032)
Funded by:
Europäische Kommission (EU)
(101135853)
| ||||
| Identification Number |
| ||||
| Keywords | moiré physics, van der Waals heterostructures, local proximity effects | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| URN of the UB Regensburg | urn:nbn:de:bvb:355-epub-808333 | ||||
| Item ID | 80833 |
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