A Type-II InP/MoTe2 van der waals heterostructure with adjustable electronic properties under external electric field and biaxial strain

We employed first-principles methods grounded in density functional theory to explore the geometric arrangement of the InP/MoTe2 heterojunction. Various configurations were examined to identify the stable state of the heterojunction. The findings highlight that the H1-type heterojunction, featuring an interlayer distance of 3.286 & Aring;, shows notable stability, displaying a type-II alignment with an indirect bandgap of 0.630 eV. Under the influence of external electric fields and strain, shifts in the bandgap and charge transfer of the heterojunction are observed, as indicated by the study. The heterojunction shifts to a metal state from a semiconductor under the influence of electric fields and strain, while still retaining the intrinsic properties of each layer. InP/MoTe2 heterojunctions are harnessed to boost material absorption and expand the range of detectable wavelengths, particularly in the ultraviolet spectrum. Importantly, external electric fields and mechanical strain have the capability to adjust the optical properties of the heterojunction, expanding its applicability and future development potential in optoelectronic devices.