Interfacial Electronic Properties and Tunable Contact Types in Graphene/Janus MoGeSiN4 Heterostructures

Nguyen T T Binh; Cuong Q Nguyen; Tuan V Vu; Chuong V Nguyen

doi:10.1021/acs.jpclett.1c00682

Interfacial Electronic Properties and Tunable Contact Types in Graphene/Janus MoGeSiN₄ Heterostructures

J Phys Chem Lett. 2021 Apr 29;12(16):3934-3940. doi: 10.1021/acs.jpclett.1c00682. Epub 2021 Apr 19.

Authors

Nguyen T T Binh^{1

2}, Cuong Q Nguyen^{1

3}, Tuan V Vu^{4

5}, Chuong V Nguyen⁶

Affiliations

¹ Institute of Research and Development, Duy Tan University, Da Nang 550000, Vietnam.
² Faculty of Natural Sciences, Duy Tan University, Da Nang 550000, Vietnam.
³ Department of Physics, University of Education, Hue University, Hue 530000, Vietnam.
⁴ Division of Computational Physics, Institute for Computational Science, Ton Duc Thang University, Ho Chi Minh City 700000, Vietnam.
⁵ Faculty of Electrical & Electronics Engineering, Ton Duc Thang University, Ho Chi Minh City 700000, Vietnam.
⁶ Department of Materials Science and Engineering, Le Quy Don Technical University, Hanoi 100000, Vietnam.

PMID: 33872012
DOI: 10.1021/acs.jpclett.1c00682

Abstract

Two-dimensional MoSi₂N₄ is an emerging class of 2D MA₂N₄ family, which has recently been synthesized in experiment. Herein, we construct ultrathin van der Waals heterostructures between graphene and a new 2D Janus MoGeSiN₄ material and investigate their interfacial electronic properties and tunable Schottky barriers and contact types using first-principles calculations. The GR/MoGeSiN₄ vdWHs are expected to be energetically favorable and stable. The high carrier mobility in graphene/MoGeSiN₄ vdWHs makes them suitable for high-speed nanoelectronic devices. Furthermore, depending on the stacking patterns, either an n-type or a p-type Schottky contact is formed at the GR/MoGeSiN₄ interface. The strain engineering and electric field can lead to the transformation from an n-type to a p-type Schottky contact or from Schottky to Ohmic contact in graphene/MoGeSiN₄ heterostructure. These findings provide useful guidance for designing controllable Schottky nanodevices based on graphene/MoGeSiN₄ heterostructures with high-performance.