Two-dimensional CaFCl: ultra-wide bandgap, strong interlayer quantum confinement, and n-type doping.

Two-dimensional (2D) ultra-wide bandgap (UWBG) semiconductors have attracted tremendous attention because of their unique electronic properties and promising applications. Using first-principles calculations, monolayer (bilayer) CaFCl has a cleavage energy of 0.93 J m-2 (0.