Hard-breakable Ohmic contact in 2D CrSi2N4-metal heterostructures: A DFT study
Yukai Zhang,
Jiayou Chen,
Chuanjun Dou,
Yumeng Jiang,
Xiangjiu Zhu,
Xinying Li,
Donglai Han,
Enliang Chen,
Xin Qu,
Shuo Yang
Affiliations
Yukai Zhang
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, People’s Republic of China
Jiayou Chen
College of Science, Changchun University, Changchun 130022, People’s Republic of China
Chuanjun Dou
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, People’s Republic of China
Yumeng Jiang
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, People’s Republic of China
Xiangjiu Zhu
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, People’s Republic of China
Xinying Li
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, People’s Republic of China
Donglai Han
School of Materials Science and Engineering, Changchun University of Science and Technology, Changchun 130022, People’s Republic of China
Enliang Chen
School of Civil Engineering, Lanzhou University of Technology, Lanzhou 730050, People’s Republic of China
Xin Qu
Key Laboratory of Functional Materials Physics and Chemistry of the Ministry of Education, Key Laboratory of Preparation and Application of Environmental Friendly Materials, College of Physics, Jilin Normal University, Changchun 130103, People’s Republic of China
Shuo Yang
College of Science, Changchun University, Changchun 130022, People’s Republic of China
The interface barrier in van der Waals heterostructures (vdWHs) determines the charge-transfer efficiency and, thus, affects the performance of electronic devices. In this work, we propose two novel 2H–CrSi2N4 and 1T–CrSi2N4 monolayers that can form Ohmic contact heterostructures with other monolayers, including graphene, Ti2C, NbS2, and Ti3C2, based on first-principle calculations. First, we studied 2H–CrSi2N4 and 1T–CrSi2N4 contact with the widely used graphene, and the calculation results show that these heterostructures can form Ohmic contact with zero potential barriers, a desirable property to achieve high-performance electronic devices. Interestingly, this kind of Ohmic contact can be well maintained under electric fields, indicating a great potential for practical applications. On the other hand, 2H–CrSi2N4 and 1T–CrSi2N4 also form Ohmic-contact heterostructures with the Ti2C, NbS2, and Ti3C2 monolayers via vdW interaction. These interesting phenomena of vdWHs can provide enlightenment for designing high-efficiency electronic devices.
