First principles study of photoelectric properties of BlueP/PtSSe heterojunction by strain and electric field

Heterojunctions possess distinctive properties that make them highly suitable for optoelectronic applications. This study investigates the electrical and optical properties of two BlueP/PtSSe heterostructures: BlueP/SPtSe and BlueP/SePtS. The findings reveal that both heterojunctions are indirect bandgap semiconductors, with band gaps of 1.051 eV and 1.134 eV, respectively, facilitating effective photoexcited electron-hole pair separation and enhancing photoelectric conversion. External factors such as electric fields and biaxial strain can modify their characteristics. Specifically, tensile strain and electric fields lead to a reduction in the band gap, while compressive strain can induce a transition from semiconductor to metallic behavior. Optical property analysis indicates that both strain and electric field broaden the absorption spectrum, improving light absorption efficiency. These results offer valuable theoretical insights for the design of optoelectronic devices based on BlueP/PtSSe heterojunctions.