Doping-induced semiconductor to half-metal transition and perpendicular magnetic anisotropy in 2D ferroelectric Sc 2 CO 2

Abstract The integration of perpendicular magnetic anisotropy and multiferroicity in two-dimensional materials offers a transformative platform for spintronic devices, enabling non-volatile electrical control of magnetism. Here, we demonstrate a doping strategy to engineer these properties in the ferroelectric Sc 2 CO 2 monolayer by introducing vanadium atoms at concentrations of 1%–20%. First-principles calculations demonstrate that doping induces a transition from semiconductor to half-metal, which is crucial for spin-polarized transport. Based on atomically and orbitally resolved magnetic anisotropy energy analyses, the easy magnetization axis of the system remains consistently out of the plane. Monte Carlo simulations further predict a Curie temperature of 252.9 K for the 20% V-doped multiferroic ScVCO 2 monolayer, underscoring its potential for room-temperature spintronic applications. Our results offer a foundation for creating high-performance nanoscale devices with improved functionality and show a means for non-volatile electrical control of two-dimensional ferromagnets.