Two-dimensional metallic VS₂ is explored as promising electrode material for MoS₂ based device by theoretically evaluating of the contact barrier at VS₂/MoS₂ interface. The electronic band structure analysis indicates that p-type Ohmic contact is formed at the VS₂/MoS₂ interface. The tunneling barrier can be avoided by selecting proper stacking order of VS₂/MoS₂ heterojunction. The atom intercalation strategy is valid, which can not only change the contact nature from p-type to n-type, but also weaken the tunneling barrier. Further quantum transport simulations reveal that n-type Ohmic contact between the electrode and MoS₂ channel can be achieved by Na and Mg intercalation. Our work may benefit for design of MoS₂ based device.

通过对 VS ₂ /MoS ₂界面的接触势垒进行理论上的评估，二维金属 VS ₂被探索为用于基于MoS ₂的器件的有前途的电极材料。电子能带结构分析表明在VS ₂ /MoS ₂界面形成p型欧姆接触。通过选择适当的VS ₂ /MoS ₂异质结的堆叠顺序可以避免隧道势垒。原子嵌入策略是有效的，它不仅可以将接触性质从 p 型改变为 n 型，还可以削弱隧道势垒。进一步的量子传输模拟表明电极和 MoS 之间的 n 型欧姆接触₂通道可以通过 Na 和 Mg 插层实现。我们的工作可能有益于基于MoS ₂的设备的设计。