%0 Journal Article %1 WOS:000346540700013 %A dos Santos Rezende, Marcos Vinicius %A Valerio, Mario Ernesto Giroldo %A Mouta, Rodolpho %A Diniz, Eduardo Moraes %A de Araujo Paschoal, Carlos William %C PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS %D 2015 %I ELSEVIER SCIENCE BV %J JOURNAL OF LUMINESCENCE %K Atomistic Defect Luminescence} calculations; perovskite; simulation; {Double %P 75-80 %R 10.1016/j.jlumin.2014.09.034 %T Mechanism of luminescent enhancement in Ba2GdNbO6:Eu3+ perovskite by Li+ co-doping %V 158 %X 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.

@article{WOS:000346540700013, 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 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.}, added-at = {2022-05-23T20:00:14.000+0200}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, author = {dos Santos Rezende, Marcos Vinicius and Valerio, Mario Ernesto Giroldo and Mouta, Rodolpho and Diniz, Eduardo Moraes and de Araujo Paschoal, Carlos William}, biburl = {https://www.bibsonomy.org/bibtex/24971a94830694a56727f1f84835521df/ppgfis_ufc_br}, doi = {10.1016/j.jlumin.2014.09.034}, interhash = {f2ba9c2309c67b3177a1301771b8a548}, intrahash = {4971a94830694a56727f1f84835521df}, issn = {0022-2313}, journal = {JOURNAL OF LUMINESCENCE}, keywords = {Atomistic Defect Luminescence} calculations; perovskite; simulation; {Double}, pages = {75-80}, publisher = {ELSEVIER SCIENCE BV}, pubstate = {published}, timestamp = {2022-05-23T20:00:14.000+0200}, title = {Mechanism of luminescent enhancement in Ba2GdNbO6:Eu3+ perovskite by Li+ co-doping}, tppubtype = {article}, volume = 158, year = 2015 }