Theoretical and experimental investigation of BaY2(MoO4)4:xSm3+ phosphors

In this paper, the novel BaY 2 (MoO 4 ) 4 :xSm 3+ phosphors with strong red emission and high thermal stabilization were prepared by a conventional method of high temperature solid state reaction in air atmosphere. Morphology, phase purity, element distribution, UV–Vis–NIR diffuse reflectance spectroscopy (DRS), and luminescence properties were investigated in detail. The crystal structure of the BaY 2 (MoO 4 ) 4 host was refined with the aid of the Rietveld refinement method by the GSAS program. The electronic band structure and phonon dispersion were performed using plane-wave density functional theory (DFT). The prepared BaY 2 (MoO 4 ) 4 :Sm 3+ phosphor exhibits excellent red emission under near-ultraviolet excitation. Strong red emission intensity and high thermal stability suggest potential application in backlighting or phosphor-covered white light-emitting diodes (pc-LEDs).