Hattabi, I.Abdiche, A.Moussa, R.Riane, R.Hadji, K.Soyalp, F.Khenata, R.2025-05-102025-05-1020160932-07841865-710910.1515/zna-2016-01002-s2.0-84985993056https://doi.org/10.1515/zna-2016-0100https://hdl.handle.net/20.500.14720/15346Ismail, Hattabi/0000-0002-6203-5116; Soyalp, Fethi/0000-0002-4053-2189; Syrotyuk, Stepan/0000-0003-4157-7351In this article, we present results of the first-principle study of the structural, electronic, and optical properties of the InN, InP binary compounds and their related ternary alloy InNxP1-x in the zinc-blend (ZB) phase within a nonrelativistic full potential linearised augmented plan wave (FP-LAPW) method using Wien2k code based on the density functional theory (DFT). Different approximations of exchange-correlation energy were used for the calculation of the lattice constant, bulk modulus, and first-order pressure derivative of the bulk modulus. Whereas the lattice constant decreases with increasing nitride composition x. Our results present a good agreement with theoretical and experimental data. The electronic band structures calculated using Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach present a direct band gap semiconductor character for InNxP1-x compounds at different x values. The electronic properties were also calculated under hydrostatic pressure for (P = 0.00, 5.00, 10.0, 15.0, 20.0, 25.0 GPa) where it is found that the InP compound change from direct to indirect band gap at the pressure P = 7.80 GPa. Furthermore, the pressure effect on the dielectric function and the refractive index was carried out. Results obtained in our calculations present a good agreement with available theoretical reports and experimental data.eninfo:eu-repo/semantics/closedAccessBand GapInnxp1-XOptical PropertiesPressure EffectSemiconductorArticle719Q3Q3783796WOS:000386907700002