Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 573, Issue -, Pages 6-10Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2013.04.004
Keywords
Persistent phosphors; SrAl2O4:Eu2+; Ab initio calculations; Luminescence
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Funding
- Mobilitas ESF program [MTT83]
- Estonian Research Council [IUT02-26]
- European Union through the European Social Fund's Doctoral Studies and Internationalisation Programme DoRa
- European Regional Development Fund (Centre of Excellence Meso-systems: Theory and Applications) [TK114]
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A stoichiometric micro-sized powder SrAl2O4:Eu2+ was synthesized by traditional solid state reaction at 1250 degrees C. Low-temperature spectroscopic measurements revealed two luminescence bands at 450 nm and 512 nm; their origin was discussed. Theoretical calculations of the structural and optical properties of SrAl2O4:Eu2+ in the framework of the density functional theory (DFT) were carried out; the obtained results were compared with the corresponding experimental data. For the first time, the position of the lowest 4f states of Eu in the host's band gap was calculated for both available Sr positions to be at about 4.5-5 eV above the top of the valence band. Reliability of this result is confirmed by good agreement with the experimental value of the O(2p)-Eu(4f) charge transfer energy, which is equal to about 4.9 eV. (C) 2013 Elsevier B. V. All rights reserved.
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