Crystal structure, electronic structure, and optical and photoluminescence properties of Eu(III) ion-doped LuMo(W)O

LuWO and LuMoO doped with Eu3+ ions have been prepared by using a citrate complexation route, followed by calcination at different temperatures. The morphology, structure, and optical and photoluminescence properties of the compounds were studied as a function of calcination temperature. Both compositions undergo transitions from a cubic to a hexagonal phase when the calcination temperature increases. All the compositions have strong absorption of near-UV light and show intense red luminescence under a near-UV excitation, which is related to the transfer of energy from the host lattices to dopant Eu ions. Density functional theory calculations have also been performed. The calculation reveals that hexagonal LuWO and LuMoO are indirect bandgap materials, and the near-UV excitations are due to the electronic transitions from the O-2p orbitals to W-5d and Mo-4d orbitals, respectively. The lattice parameters and bandgap energies of hexagonal Lu WO and LuMoO were determined. © 2011 American Chemical Society.