We studied the structural, electronic and optical properties of PtSe2/InSe van der Waals heterostructures (vdWh) using first principles calculations based on density functional theory (DFT). The total energies were calculated within the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) for the exchange-correlation potential. It is found that the PtSe2/InSe vdWh band gaps vary tunable via changing the interlayer coupling. The optical constants, including the dielectric function ε(w), the refractive index n(w) and the reflectivity R(w), are calculated for radiation energies up to 50 eV. This vdWh seem to be a potential candidate of optoelectronic devices.
Imaging of Interlayer Coupling in van der Waals Heterostructures Using a Bright-Field Optical Microscope
