Tuneable Schottky contact of MoSi2N4/TaS2 van der Waals heterostructure
Jinglin Xia,
Yixiao Gu,
Jun Mai,
Tianyang Hu,
Qikun Wang,
Chao Xie,
Yunkai Wu,
Xu Wang
Affiliations
Jinglin Xia
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Yixiao Gu
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Jun Mai
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Tianyang Hu
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Qikun Wang
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Chao Xie
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Yunkai Wu
Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
Xu Wang
Corresponding author.; Key Laboratory of Electronic Composites of Guizhou Province, College of Big Data and Information Engineering, Guizhou University, Guiyang 550025, Guizhou, People's Republic of China
The two-dimensional MoSi2N4 monolayer is an emerging semiconductor material that offers considerable promise due to its ultra-thin profile, tuneable mechanical properties, excellent optoelectronic properties and exceptional environmental stability. The van der Waals (vdW) heterostructure formed by stacking such two-dimensional monolayers has demonstrated superior performance across various domains. In this study, a vdW heterostructure combining the two-dimensional MoSi2N4 and TaS2 monolayers is examined using first-principles density functional theory. In its ground state, this van der Waals heterostructure establishes an ohmic contact with an exceptionally low potential barrier height. By modulating the vdW heterostructure with an applied electric field of -0.1 V/Å and under vertical stress, we discovered that MoSi2N4 and TaS2 can transition from an ohmic contact to a p-type Schottky with an ultra-low Schottky barrier height (SBH). Our observations may give valuable insights for designing reconfigurable, tuneable Schottky nano-devices with enhanced electronic and optical properties based on MoSi2N4/TaS2.