The external electrical/light induced Schottky-to-Ohmic contact transition in van der Waals (vdW) multiferroic heterojunctions is a key technological breakthrough in the low-resistance nanodevices. However, this transition usually faces the challenge of strong Fermi level pinning effect at heterointerface. Herein, we employ density functional theory to explore the interface contact properties in α-In₂Se₃/1T-MX₂ (M = Mn, V, Cr; X = Se, Te) vdW heterojunctions, where α-In₂Se₃ has two opposite polarization states (α-P↑ and α-P↓). We find that only the case of 1T-MnSe₂ maintains the initial crystal structure with being affected by electrical polarization of α-In₂Se₃. Moreover, α-In₂Se₃/1T-MnSe₂ shows an enhanced p-type Schottky barrier in α-In₂Se₃ with α-P↑ state, while it can exhibit n-type Ohmic contact when α-In₂Se₃ reverses to α-P↓ state. Further kinetic analysis reveals that this transition is non-volatile and intrinsic. Our results provide an avenue for the design of future 2D non-volatile electronics.

范德华兹（vdW）多铁异质结中的外部电/光诱导的肖特基-欧姆接触跃迁是低电阻纳米器件中的关键技术突破。然而，这种转变通常面临异质界面上强大的费米能级固定效应的挑战。在这里，我们采用密度泛函理论来研究α- In ₂ Se ₃ / 1T-MX ₂（M = Mn，V，Cr; X = Se，Te）vdW异质结中的界面接触特性，其中α- In ₂ Se ₃具有两个相反的极化态（α- P↑和α- P↓）。我们发现只有1T-MnSe _2的情况受α- In ₂ Se _3的电极化影响，保持初始晶体结构。此外，α-在₂硒₃ / 1T-MnSe的₂示出了增强的p型肖特基势垒中的α -In ₂硒₃与α- P↑状态，而它可表现出Ñ型欧姆接触时α-在₂硒₃反转为α- P↓状态。进一步的动力学分析表明，这种转变是非易失性的和固有的。我们的结果为将来的2D非易失性电子产品设计提供了一条途径。