"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+ 4f7 and 4f65d1 ground level energies confirm that the excited electrons can reach easily the conduction band for subsequent trapping." . "Malkam\u00E4ki, M." . "DFT and synchrotron radiation study of Eu2+ doped BaAl2O4." . "Z(AV0Z10100521)" . . . "Rodrigues, L.C.V." . "Optical Materials Express" . "9"^^ . "4" . . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "12"^^ . "Felinto, M.C.F.C." . "2159-3930" . "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+ 4f7 and 4f65d1 ground level energies confirm that the excited electrons can reach easily the conduction band for subsequent trapping."@en . . . "RIV/68378271:_____/12:00395725" . "DFT and synchrotron radiation study of Eu2+ doped BaAl2O4."@en . . . "Laamanen, T." . "000302957100008" . "fluorescent and luminescent materials; optical storage materials; rare-earth-doped materials; luminiscence"@en . "Lastusaari, M." . "2" . . . . . . "DFT and synchrotron radiation study of Eu2+ doped BaAl2O4."@en . "130902" . "DFT and synchrotron radiation study of Eu2+ doped BaAl2O4." . "Nov\u00E1k, Pavel" . . "1"^^ . "Stefani, R." . . . "RIV/68378271:_____/12:00395725!RIV14-AV0-68378271" . "[B3BC9E9DD587]" . "Brito, H. F." . . "H\u00F6ls\u00E4, J." .