Electronic, optical, and mechanical properties of AlxIn1−xP alloys under temperature and pressure

Abstract

AbstractIn this work, the optoelectronic and mechanical properties of AlxIn1−xP combinations in the zinc-blende structure were studied for different Al concentrations. The energy band gaps$$\left( {{\text{E}}_{{\text{g}}}^{{\text{L}}} ,\,{\text{E}}_{{\text{g}}}^{\Gamma } ,\,{\text{E}}_{{\text{g}}}^{{\text{X}}} } \right)$$EgL,EgΓ,EgX, refractive index (n), high frequency and static dielectric constants (ɛ∞, ɛo), elastic parameters (C11, C12, C44) were investigated. Other mechanical properties such as bulk (Bu), shear (Cs), Young’s (Y0) moduli, Poisson ratio (σ), linear compressibility$$(C_{o} )$$(Co), Cauchy$$(C_{a} )$$(Ca)ratio, isotropy factor (A), bond stretching parameter$$(\alpha \,)$$(α), bond-bending force parameter$$(\beta \,)$$(β), internal-strain parameter$$(\xi )$$(ξ), and the transverse effective charge$$(e_{T}^{*} )$$(eT∗)were calculated. Also, the temperature and pressure dependences of these properties were studied. Our estimations were made with the empirical pseudo-potential method combined with the virtual crystal approximation incorporated the compositional disorder impact. There was a reasonable agreement between our determined outcomes and the accessible experimental values for the binary materials AlP and InP which give help for the consequences of the ternary combinations.