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Cvitkovich, Lukas ; Zollner, Klaus ; Fabian, Jaroslav

Predicting moiré physics from local proximity effects in van der Waals heterostructures

Artikel

Cvitkovich, Lukas , Zollner, Klaus und Fabian, Jaroslav (2026) Predicting moiré physics from local proximity effects in van der Waals heterostructures. npj Computational Materials 12, S. 322.

DOI zum Zitieren dieses Dokuments: 10.5283/epub.80833


Zusammenfassung

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.



Beteiligte Einrichtungen


Details

DokumentenartArtikel
Titel eines Journals oder einer Zeitschriftnpj Computational Materials
VerlagSpringer
Open Access ArtDEAL (Springer Gold)
Band12
SeitenbereichS. 322
Datum29 September 2026
Veröffentlichungsdatum01 Okt 2026 05:43
InstitutionenPhysik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian
Projekte
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (443416183)
Gefördert von: Deutsche Forschungsgemeinschaft (DFG) (314695032)
Gefördert von: Europäische Kommission (EU) (101135853)
Identifikationsnummer
WertTyp
10.1038/s41524-026-02346-wDOI
Stichwörter / Keywordsmoiré physics, van der Waals heterostructures, local proximity effects
Dewey-Dezimal-Klassifikation500 Naturwissenschaften und Mathematik > 530 Physik
StatusVeröffentlicht
BegutachtetJa, diese Version wurde begutachtet
An der Universität Regensburg entstandenJa
URN der UB Regensburgurn:nbn:de:bvb:355-epub-808333
Dokumenten-ID80833

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