Investigation of Topological Behavior and Glass Transition Temperature of Chalcogenide M₅-Se₆₀-Te₂₀-Ge₁₅ (M = Sn, Zn, Sb) Glassy Alloys

Throughout this communication, it has been reported the theoretical outcomes of doping of various additive elements on the glass composition Se₆₀-Te₂₀-Ge₁₅-M₅ (M = Sn, Zn, Sb). The dependence on mean coordination number, mean bond energy, the transition temperature of the glass, and cohesive energy with various additive elements have been studied based on topological considerations. A comprehensive investigation of various parameters like mean coordination number, bond-stretching and bond-bending parameters, energy gap, cohesive energy, glass transition temperature, and mean bond energy has been carried out. By deploying basic ideas grounded in average coordination numbers and bond energies, the cohesive energies of the systems have been estimated by computing the number of each type of predicted bond. Band gap energies of the systems have been estimated theoretically and the Sb-doped system possesses the lowest energy band gap with a value of 1.39 eV. The chemically ordered network model and constraints theory have been used to discuss these obtained results.