In this work, properties of Nd3+ in Gd2O3-CaO-SiO2-B2O3 glass systems with composition 25Gd2O3-10CaO-10SiO2-(55-x)B2O3-xNd2O3 where x = 0.0, 0.5, 1.0, 1.5, 2.0 and 2.5 mol% were investigated. The optical absorption spectra show peaks at 4F3/2 (877 nm) , 4F5/2+2H9/2 (802 nm), 4F7/2+4S3/2 (743 nm), 4F9/2 (682 nm), 2H11/2 (627 nm), 2G7/2 +4G5/2 (582 nm), 4G7/2 +2K13/2 (527 nm), 4G11/2 (481 nm), 2P1/2 (427 nm) and 2L15/2 + 4D1/2 + 1I11/2+ 4D5/2+ 4D3/2 (355 nm) reflecting the Nd3+ ions in glass matrices. The densities were increased with increasing of Nd2O3 concentration. This indicates the increase of the molecular weight by the replacement of B2O3 with a heavier Nd2O3 oxide in the glass. The upconversion luminescence spectra show bands at 393 nm for all Nd2O3 concentration and the strongest intensity from 2.5 % mol of Nd2O3 was obtained. For NIR luminescence, the intensity of Nd3+ emission spectra increases with increasing concentrations of Nd3+ up to 1.5 mol% and beyond 1.5 mol% the concentration quenching is observed.
Accurate and Efficient Computation of Optical Absorption Spectra of Molecular Crystals: The Case of the Polymorphs of ROY
