Density Functional Theory calculations are presented for the structural properties, electronic structure, and thermodynamic stabilities of the bulk (001) surface of the GaAs semiconductor zinc-blende crystal phase. The structural parameters, cohesion, formation, and substitutional energies for the substitution of gallium atoms by M atoms (M=Al, In) at different proportions (5.55%, 11%, and 22%) in the bulk case are presented. For surface systems, substitutions were studied at 0.25 ML, 0.50 ML, and 1.0 ML (In, Al)-doped superficially. Additionally, substitutions of M atoms in the inner layer of the mentioned slabs were studied. For Al substitutions, ab-initio thermodynamic calculations show that for high doping, bulk and surface, more favorable cohesion, formation, and surface energies are observed. Unlike Al, In substitutions have shown an opposite behavior. Furthermore, density of states showed semiconductor behavior for the bulk systems, whilst a metallic behavior for all surfaces studied.