Abstract:
Two-dimensional van der Waals heterostructures have emerged as a hotspot in next-generation nanoelectronic device research due to their unique interfacial coupling effects and tunable electronic properties. This work employs first-principles calculations to systematically investigate the electronic structure, carrier mobility, and response character-istics under applied electric fields of novel PtO2/WS2 van der Waals heterostructures. The results reveal that the PtO2/WS2 heterostructure exhibits a Type-II band alignment, which facilitates efficient electron-hole separation. Nota-bly, the electron mobility reaches 3.998 × 105 cm2V-1s-1, indicating significant potential for high-speed electronic de-vices. Furthermore, an applied perpendicular electric field effectively modulates the band structure, inducing a semi-conductor-metal transition. This reversible switching behavior forms the basis for nonvolatile memory. More importantly, considering spin-orbit coupling effects, we discovered that external electric fields can induce substantial spin splitting, enabling manipulation of spin-polarized currents. Based on these properties, we propose a novel device concept inte-grating logic storage and information encryption, offering new insights for designing high-performance, high-security nanoelectronic devices in the post-Moore's Law era.