Synthesis, crystal structure and luminescence properties of ultra-broadband full-visible-spectral emission phosphor NaBa3Si2O7F: Bi3

In this paper, NaBa3Si2O7F: Bi3+ phosphor was synthesized by solid phase method, and its first-principles calculations, crystal structure and luminescence properties were investigated. First-principles calculations showed that NaBa3Si2O7F is a direct bandgap fluorosilicate. The X-ray powder diffraction (XRD) patterns of the prepared phosphors were synchronized with the referenced data. The morphology of the prepared phosphors was analyzed by transmission electron microscope (TEM) and high-resolution transmission electron microscope (HRTEM). The excitation and emission spectra showed that in NaBa3Si2O7F: 7%Bi3+ single-phase phosphor, the multi-site occupancy of Bi3+ in the phosphor can realize the ultra-broadband full-visible-spectral emission from 300 to 800 nm, with the full width at the half maximum (FWHM) = 428 nm. All these results indicate that NaBa3Si2O7F: Bi3+ phosphor is a promising ultra-broadband full-visible-spectral emission luminescence phosphor. •A novel ultra-broadband full-visible-spectral emission phosphor NaBa3Si2O7F: Bi3+ was successfully designed.•Bi3+ was proved to occupy three different cationic sites in NaBa3Si2O7F.•A series of NaBa3Si2O7F: 7%Bi3+ ultra-broadband (FWHM = 428 nm) phosphor was prepared by a solid-state reaction method.