Abstract

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 α and second-order hyperpolarizability γ 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 χ⁽³⁾ that is ~1.5 times and ~20 times larger than the base tellurite glass, respectively.

© 2009 Optical Society of America