Optical and DFT study of a novel blue-emitting Gd7O6(BO3) (PO4)2: Bi3+ phosphor

Abstract

In this study, a novel blue-emitting phosphors, Gd7O6(BO3) (PO4)2: Bi3+, has been successfully synthesized via a high-temperature solid-state method, and first-principles calculations, microscopic structures, and optical properties of these phosphors were studied. The bandgap and density of states in both the undoped and doped states by implementing the Vienna Ab initio Simulation Package were also investigated. The obtained results indicated that the introduction of Bi3+ dopants led to a reduction in the bandgap value, as ascertained through data analysis. Based on the spectroscopic analysis, it can be inferred that the material A manifests a Stoke shift of 10,073 cm−1 and full width at half maximum (FWHM) of 87 nm. The thermal stability of the spectrum indicates a slight blue shift with increasing temperature, accompanied by a small increase in FWHM. Based on the fluorescence lifetime analysis, it has been revealed that there is a reduction in the fluorescence lifetime with the escalation of the doping concentration. The CIE diagram displays that all the samples at different concentrations are placed in the blue region and primarily converge at a single point.