A Visualized Structure-Property Modeling Method For Phosphogermanate Glass Based On Xps

A structure-property model with a highly fitting degree (R-2 > 0.95) for phosphogermanate glass was established, based on the structural units extracted by O-1s X-ray photoelectron spectroscopy (XPS). The model can predict density and optical properties (e.g., refractive index, Stark splitting, and emission cross section. The verification error was less than those of the traditional addition method and mathematical statistics method. The corresponding parameters indicated that density and refractive index may be largely influenced by non-bridging oxygens (NBOs), while Stark splitting and emission cross section may be greatly affected by the structural units related to germanium and the NBOs related to phosphorus, respectively. Numerical simulation suggested that the increase in Yb3+ may be neglected for the spectroscopic properties of phosphogermanate glass when GeO2 < 20 wt%. This universal structure-property model can be extended to study multi-component oxide glasses, providing reliable support for the establishment of a "glassy genome."