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Chin. Phys. B, 2022, Vol. 31(8): 087101    DOI: 10.1088/1674-1056/ac5c3b

Modulation of Schottky barrier in XSi2N4/graphene (X=Mo and W) heterojunctions by biaxial strain

Qian Liang(梁前), Xiang-Yan Luo(罗祥燕), Yi-Xin Wang(王熠欣), Yong-Chao Liang(梁永超), and Quan Xie(谢泉)
College of Big Data and Information Engineering, Institute of New Optoelectronic Materials and Technology, Guizhou University, Guiyang 550025, China
Abstract  Reducing the Schottky barrier height (SBH) and even achieving the transition from Schottky contacts to Ohmic contacts are key challenges of achieving high energy efficiency and high-performance power devices. In this paper, the modulation effects of biaxial strain on the electronic properties and Schottky barrier of MoSi2N4 (MSN)/graphene and WSi2N4 (WSN)/graphene heterojunctions are examined by using first principles calculations. After the construction of heterojunctions, the electronic structures of MSN, WSN, and graphene are well preserved. Herein, we show that by applying suitable external strain to a heterojunction stacked by MSN or WSN — an emerging two-dimensional (2D) semiconductor family with excellent mechanical properties — and graphene, the heterojunction can be transformed from Schottky p-type contacts into n-type contacts, even highly efficient Ohmic contacts, making it of critical importance to unleash the tremendous potentials of graphene-based van der Waals (vdW) heterojunctions. Not only are these findings invaluable for designing high-performance graphene-based electronic devices, but also they provide an effective route to realizing dynamic switching either between n-type and p-type Schottky contacts, or between Schottky contacts and Ohmic contacts.
Keywords:  MoSi2N4      Schottky barrier height      heterojunction      biaxial strain  
Received:  29 November 2021      Revised:  15 February 2022      Accepted manuscript online:  10 March 2022
PACS:  71.20.-b (Electron density of states and band structure of crystalline solids)  
  73.30.+y (Surface double layers, Schottky barriers, and work functions)  
Fund: One of the authors, Qian Liang, would like to thank his supervisor, Professor Quan Xie for guidance, and also his friends and colleagues for their cooperation. Project supported by the Industry and Education Combination Innovation Platform of Intelligent Manufacturing and Graduate Joint Training Base at Guizhou University, China (Grant No. 2020-520000-83-01-324061), the National Natural Science Foundation of China (Grant No. 61264004), and the High-level Creative Talent Training Program in Guizhou Province, China (Grant No.[2015]4015).
Corresponding Authors:  Quan Xie     E-mail:

Cite this article: 

Qian Liang(梁前), Xiang-Yan Luo(罗祥燕), Yi-Xin Wang(王熠欣), Yong-Chao Liang(梁永超), and Quan Xie(谢泉) Modulation of Schottky barrier in XSi2N4/graphene (X=Mo and W) heterojunctions by biaxial strain 2022 Chin. Phys. B 31 087101

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