The transparency and p-type defects for group IV atoms doped AlP: the hybrid functional study

Abstract The electronic structures and optical properties, together with the properties for intrinsic defects and group IV atoms doped AlP are studied by employing the hybrid functional method. Obtained results imply AlP is a promising transparent material, nonstoichiometric AlP is a potential n-type semiconductor. The transition energy level ε (0/-) for C, Si and Ge substituting P are 0.24, 0.33 and 0.48 eV above the valence band maximum (VBM), indicating C substituting P (written as C P ) is a shallow p-type defect. With the thermal equilibrium fabricated method, the obvious self-compensation effect exists among the C P and the intrinsic defects, suggesting the non-equilibrium fabricated method, such as, the molecular beam epitaxy fabrication scheme, should be considered to fabricate the p-type C P defect.