DFT and synchrotron radiation study of Eu2+ doped BaAl2O4
| Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
|---|---|
| Data(s) |
07/11/2013
07/11/2013
2012
|
| Resumo |
The structural distortions resulting from the size mismatch between the Eu2+ luminescent centre and the host Ba2+ cation as well as the electronic structure of BaAl2O4:Eu2+(,Dy3+) were studied using density functional theory (DFT) calculations and synchrotron radiation (SR) luminescence spectroscopy. The modified interionic distances as well as differences in the total energies indicate that Eu2+ prefers the smaller of the two possible Ba sites in the BaAl2O4 host. The calculated Eu2+ 4f(7) and 4f(6)5d(1) ground level energies confirm that the excited electrons can reach easily the conduction band for subsequent trapping. In addition to the green luminescence, a weak blue emission band was observed in BaAl2O4:Eu2+,Dy3+ probably due to the creation of a new Ba2+ site due to the effect of water exposure on the host. (C) 2012 Optical Society of America Turku University Foundation Jenny and Antti Wihuri Foundation (Finland) Academy of Finland [123976/2006, 134459/2009, 137333/2010, 112816/2006/JH, 116142/2006/JH, 123976/2007/TL] Academy of Sciences of the Czech Republic Czech research project [AVOZ10100521] European Community [RII3-CT-2004-506008] CNPq Nanobiotec-Brasil RH-INAMI inctINAMI FAPESP Coimbra Group CAPES (Brazil) |
| Identificador |
OPTICAL MATERIALS EXPRESS, WASHINGTON, v. 2, n. 4, p. 420-431, APR 1, 2012 2159-3930 |
| Idioma(s) |
eng |
| Publicador |
OPTICAL SOC AMER WASHINGTON |
| Relação |
OPTICAL MATERIALS EXPRESS |
| Direitos |
closedAccess Copyright OPTICAL SOC AMER |
| Palavras-Chave | #PERSISTENT LUMINESCENCE #ELECTRONIC-STRUCTURE #PHOSPHOR #SRAL2O4EU2+ #EUAL2O4 #MATERIALS SCIENCE, MULTIDISCIPLINARY #OPTICS |
| Tipo |
article original article publishedVersion |
