Mechanism of luminescent enhancement in Ba2GdNbO6:Eu3+ perovskite by Li+ co-doping

Autor:	Rezende, Marcos Vinicius dos Santos, Valério, Mario Ernesto Giroldo, Mouta, Rodolpho, Diniz, Eduardo Moraes, Paschoal, Carlos William de Araújo
Rok vydání:	2014
Předmět:	Condensed Matter - Materials Science
Druh dokumentu:	Working Paper
Popis:	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 Nb_Gd 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. Comment: 1 Figure, 17 pages
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1403.0977 Zobrazit plný text záznamu View this record from Arxiv