Evaluating the linear and nonlinear optical properties of a mixed tellurite chalcogenide glass

A new type of tellurite chalcogenide glass is proposed and simulated at the microscopic molecular level using GAMESS. The ab initio study shows that the optical linear polarizability alpha and second-order hyperpolarizability gamma per unit increase ~1.5 times and ~2 times respectively by replacing O with S in chain-like structures Te<^O _x>Te (X=O or S), resulting in an estimation of linear refractive index n₀ and third-order susceptibility chi⁽³⁾ that is ~1.5 times and ~20 times larger than the base tellurite glass, respectively.