Exploring structural phase transition, electronic and optical characteristics of optoelectronic phosphides XSiP (X = Mg, Cd, and Zn) through First principle computation.

Context: The present study reports the properties of pressure-induced phase transition, electronic and optical of phosphides XSiP under pressure in chalcopyrite, sodium chloride (rock salt), and Wurtzite phases. The study shows the chalcopyrite phase as the most stable phase among the other studied phases. The obtained structural parameters in the chalcopyrite and rock-salt phases reasonably agree with the literature.