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Electronic Structures of Twisted Bilayer InSe/InSe and Heterobilayer Graphene/InSe.

ABSTRACT: Building vertical van der Waals heterojunctions between two-dimensional layered materials has become a promising strategy for modulating the properties of two-dimensional materials. Herein, we investigate the electronic structures of non-twisted/twisted bilayer InSe/InSe and heterobilayer graphene/InSe (Gr/InSe) by employing density functional theory calculations. For twisted bilayer InSe/InSes, their interlayer distances and band gaps are almost identical but a bit larger than those of the AB-stacking one due to the spontaneous polarization. Differently, the band gaps of twisted Gr/InSe are found to vary with the rotation angles. Our results provide an effective way to tune the electronic properties of two-dimensional materials.

SUBMITTER: Yao X

PROVIDER: S-EPMC8158824 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature

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Electronic Structures of Twisted Bilayer InSe/InSe and Heterobilayer Graphene/InSe.

Yao Xiaojing X Zhang Xiuyun X

ACS omega 20210511 20

Building vertical van der Waals heterojunctions between two-dimensional layered materials has become a promising strategy for modulating the properties of two-dimensional materials. Herein, we investigate the electronic structures of non-twisted/twisted bilayer InSe/InSe and heterobilayer graphene/InSe (Gr/InSe) by employing density functional theory calculations. For twisted bilayer InSe/InSes, their interlayer distances and band gaps are almost identical but a bit larger than those of the AB-s ...[more]

PMID: 34056490

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