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

被引：10

作者：

dos Santos Rezende, Marcos Vinicius ^{[1
]}

Giroldo Valerio, Mario Ernesto ^{[2
]}

Mouta, Rodolpho ^{[3
]}

Diniz, Eduardo Moraes ^{[3
]}

de Araujo Paschoal, Carlos William ^{[3
,4
,5
]}

机构：

[1] Univ Fed Sergipe, Dept Fis, BR-49500000 Itabaiana, SE, Brazil

[2] Univ Fed Sergipe, Dept Fis, BR-49100000 Sao Cristovao, SE, Brazil

[3] Univ Fed Maranhao, Dept Fis, CCET, BR-65085580 Sao Luis, MA, Brazil

[4] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA

[5] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA

来源：

JOURNAL OF LUMINESCENCE | 2015年 / 158卷

关键词：

Double perovskite; Defect calculations; Atomistic simulation; Luminescence; THIN-FILM PHOSPHORS; PHOTOLUMINESCENCE; GD; INTENSITIES; SIMULATION; PARAMETERS; SYMMETRY; SPECTRA; PROGRAM; GULP;

D O I：

10.1016/j.jlumin.2014.09.034

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

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(center dot center dot) 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. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：75 / 80

页数：6

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