Electronic structure, optical and thermal/concentration quenching properties of Lu2−2xEu2xWO6 (0 ≤ x ≤0.2)

Density functional theory calculations on monoclinic Lu 2 WO 6 is carried out using the Cambridge Sequential Total Energy Package code. The result indicates that Lu 2 WO 6 is a broad band gap semiconductor with an indirect band gap of 3.13   eV. Eu ions are trivalency and the average coordination number is 7.6(5), indicating that the site of Lu is occupied by Eu. The activation energy Δ E is calculated as 0.314   eV. In addiation, the thermal quenching mechnism of Eu-activated Lu 2 WO 6 and the different concentration quenching mechanisms for 5 D 0 and 5 D 1 emissions of Eu ions have been proposed.