Monoclinic Lu2-xSmxWO6-Based White Light-Emitting Phosphors: From Ground-Excited-States Calculation Prediction to Experiment Realization.

Through ground state and constrained density function calculations, Sm3+ ions luminescence in self-activated monoclinic Lu2WO6 was originated from intra 4f → 4f transitions, not inter 5d → 4f transitions. Theoretically the white luminescence was obtained by combining red and blue-green emissions of 4f energy levels and W-O charge transfer transitions. Experimentally, pure and Sm3+ doping Lu2WO6 powders were synthesized using solid phase reaction calcined in air atmosphere. By the analysis of X-ray photoelectron spectroscopy and Rietveld refinement, element Sm charge state was trivalent, and Sm3+ doping was concentration-dependent selectively doping in three Lu sites. With the increase of Sm3+ concentrations, the color coordinates changed gradually from blue (0.17, 0.17) through white light (0.33, 0.25) toward orange (0.44, 0.32) in the visible spectral under 325 nm excitation. On the basis of the theoretical prediction and experimental preparation, a white emission LED lamp was produced using a 365 nm ultraviolet chip and Lu1.99Sm0.01WO6 phosphor. The present design method can be applied to select excellent activators from a large number of rare-earth (Re) ions like Sm3+ and Eu3+/2+ or non-Re ions like Bi3+ and Mn4+ in various matrixes.