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

Abstract

In 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), 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} ), Cauchy (C_{a} ) ratio, isotropy factor (A), bond stretching parameter (alpha ,), bond-bending force parameter (beta ,), internal-strain parameter (xi ), and the transverse effective charge (e_{T}^{*} ) 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.