Electronic, optical, and mechanical properties of Alxln1-xP alloys under temperature and pressure

In this work, the optoelectronic and mechanical properties of Al(x)ln(1-x)P combinations in the zinc-blende structure were studied for different Al concentrations. The energy band gaps (E-g(L), E-g(Gamma), E-g(X)), refractive index (n), high frequency and static dielectric constants (epsilon(infinity), epsilon(o)), elastic parameters (C-11, C-12, C-44) were investigated. Other mechanical properties such as bulk (B-u), shear (C-s), Young's (Y-0) moduli, Poisson ratio (sigma), 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.

Automated summary

This study investigated the optoelectronic and mechanical properties of Al(x)ln(1-x)P combinations with different Al concentrations in the zinc-blende structure. The temperature and pressure dependencies of these properties were also examined.