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  Moiré flat bands in twisted 2D hexagonal vdW materials

Xu, Q., Guo, Y., & Xian, L. D. (2021). Moiré flat bands in twisted 2D hexagonal vdW materials. 2D Materials, 9(1): 014005. doi:10.1088/2053-1583/ac3a98.

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Xu_2022_2D_Mater._9_014005.pdf (Publisher version), 4MB
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https://dx.doi.org/10.1088/2053-1583/ac3a98 (Publisher version)
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 Creators:
Xu, Q.1, 2, Author
Guo, Y.3, Author
Xian, L. D.2, 4, Author              
Affiliations:
1College of Physics and Electronic Engineering, Center for Computational Sciences, Sichuan Normal University, ou_persistent22              
2Songshan-Lake Materials Laboratory, ou_persistent22              
3School of Electrical Engineering and Automation, Wuhan University, ou_persistent22              
4Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              

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Free keywords: moiré superlattice, twisted 2D materials, first principle calculation, flat bands, 2D materials
 Abstract: Moiré superlattices (MSL) in twisted bilayer graphene (TBG) and its derived structures can host exotic correlated quantum phenomena because the narrow moiré flat minibands in those systems effectively enhance the electron-electron interaction. Correlated phenomena are also observed in 2H-transitional metal dichalcogenides MSL. However, the number of moiré systems that have been explored in experiments are still very limited. Here we theoretically investigate a series of two-dimensional (2D) twisted bilayer hexagonal materials beyond TBG at fixed angles of 7.34∘ and 67.34∘ with 22 2D van der Waals layered materials that are commonly studied in experiments. First-principles calculations are employed to systemically study the moiré minibands in these systems. We find that flat bands with narrow bandwidth generally exist in these systems. Some of the systems such as twisted bilayer In2Se3, InSe, GaSe, GaS and PtS2 even host ultra-flat bands with bandwidth less than 20 meV even for such large angles, which makes them especially appealing for further experimental investigations. We further analysis the characters of moiré flat bands and provide guidance for further exploration of 2D MSL that could host strong electron correlations.

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Language(s): eng - English
 Dates: 2021-10-142021-08-112021-11-162021-12-01
 Publication Status: Published online
 Pages: -
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 Rev. Type: Peer
 Identifiers: DOI: 10.1088/2053-1583/ac3a98
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Title: 2D Materials
  Abbreviation : 2D Mater.
Source Genre: Journal
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Publ. Info: Bristol : IOP Publ.
Pages: - Volume / Issue: 9 (1) Sequence Number: 014005 Start / End Page: - Identifier: ISSN: 2053-1583
CoNE: https://pure.mpg.de/cone/journals/resource/2053-1583