2014/03/05 by Marcos V. dos S. Rezende, Marcos Vinicius dos Santos Rezende, Rezende, Marcos Vinicius dos Santos +10
Engineering · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Luminescence Properties of Advanced Materials #Materials Science (cond-mat.mtrl-sci) #Microwave Dielectric Ceramics Synthesis #Perovskite Materials and Applications #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1403.0977
1 Figure, 17 pages
arxiv created 2014/03/05 · openalex publication_date 2014/03/05 · arxiv updated 2016/10/05 · openalex created_date 2022/09/20 · openalex updated_date 2026/07/28
We investigated the Li+ ion incorporation in Ba2GdNbO6:Eu3+ perovskite by atomistic simulations based on energy minimization. We predicted the most probable sites occupied by Eu3+ and Li+ ions and the related charge-compensation mechanisms involved into these substitutions. The results show that the Eu3+ and Li+ ions are incorporated mainly at the Gd3+ site. In the Li+ ion case, there is a charge compensation by NbGd antisite. The Crystal field parameters and the transition levels for the Eu3+ ion in the BGN:Eu3+ were calculated with basis on the simulated local symmetry of the Eu3+ site. The results show that the mechanism of luminescent properties enhancement is the symmetry distortion induced by the Li+ co-doping.