Structural, Judd-Ofelt, photoluminescence properties of Eu3+activated SrWO4 phosphors: Electronic, vibrational, elastic properties from ab initio study

In this paper, we report the experimental study of structural, spectral and luminescence properties of Scheelite SrWO4:xEu3+(x = 0.01–0.09) phosphors with first principles ab-initio study of the electronic and mechanical properties. The first part of the paper devoted to experimental study of Scheelite SrWO4:xEu3+(x = 0.01–0.09) phosphors synthesized by solid state method. The second part covers detailed ab-initio study of the electronic, elastic, optical and vibrational properties of both scheelite and fergusonite phases of SrWO4. The synthesized scheelite SrWO4 phosphors are characterized by Powder x-ray diffraction, UV–Visible, FTIR, Photoluminescence (PL) and cathodo-luminescence (CL). The photoluminescence (PL) properties of the Scheelite SrWO4 doped Eu3+ phosphors were analyzed in detail. The PL emission spectra shows the strong and intense red emission corresponding to typical f-f transition of Eu3+ion. The intensity parameters (Ω2 and Ω4) of Eu3+ activated SrWO4 phosphors are evaluated by Judd-Ofelt theory. Using these intensity parameters, branching ratio (βR), radiative lifetime (τrad), the transition probabilities (AT) are calculated. The color chromaticity coordinates (CIE) of the phosphors were also discussed in detail. Also, Computational studies shows the fergusonite phase exhibits better mechanical properties than scheelite structure. [Display omitted] •Eu3+ activated SrWO4 phosphors were prepared by solid state reaction technique.•In Judd Ofelt analysis Ω2 > Ω4 justify the asymmetric site occupancy of Eu3+ ions.•Cathodoluminiscence and PL studies shows intense red emission.•Ab initio calculations for both Scheelite and fergusonite SrWO4 carried out in detail.