| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5399931 | Journal of Luminescence | 2015 | 6 Pages |
Abstract
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.
-
- 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.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Marcos Vinicius dos Santos Rezende, Mario Ernesto Giroldo Valério, Rodolpho Mouta, Eduardo Moraes Diniz, Carlos William de Araujo Paschoal,