Photoluminescence emissions of Ca1−xWO4:xEu3+: Bridging between experiment and DFT calculations*
Abstract: In this work, the impact of the doping process on the photoluminescence emission of CaWO4 as a function of the concentration of Eu3+ cation (0.01 mol%, 0.02 mol%, 0.04 mol%, 0.06 mol%, 0.08 mol%, and 0.10 mol%) is discussed in detail. Ca1−xWO4:xEu3+ samples were successfully synthesized by a simple co-precipitation method followed by microwave irradiation. The blue shift in the absorption edge confirmed the quantum confinement effect and the band gap energy cover the range from 3.91 to 4.18 eV, as the amount of Eu3+ cations increases. The experimental results are sustained by first-principles calculations, at the density functional theory level, to decipher the geometry and electronic properties, thereby enabling a more accurate and direct comparison between theory and experiment for the Ca1−xWO4:xEu3+ structure.
Author(s): Gouveia, A.F.; Assis, M.; Ribeiro, L.K.; Lima, A.E.B.; Gomes, E.O.; Souza, D.; Galvão, Y.G.; Rosa, I.L.V.; Luz Jr.,G.E.; Guillamón, E.; Longo, E.; Andrés, J.; San-Miguel, M.A.
Journal of Rare Earths
Available online 15 October 2021
DOI: https://doi.org/10.1016/j.jre.2021.08.023
CDMF
The CDMF, hosted at the Federal University of São Carlos (UFSCar), is one of the Research, Innovation and Dissemination Centers (RIDC) supported by the São Paulo State Research Support Foundation (Fapesp), and also receives investment from the National Council Scientific and Technological Development (CNPq), from the National Institute of Science and Technology of Materials in Nanotechnology (INCTMN).
