| Electronic structure of the SrAl2O4：Eu^2＋ persistent luminescence material |
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| 引用本文： | Jorma Hoelsae,Taneli Laamanen,Mika Lastusaari,Janne Niittykoski,Pavel Novak. Electronic structure of the SrAl2O4：Eu^2＋ persistent luminescence material[J]. 中国稀土学报(英文版), 2009, 27(4): 550-554. DOI: 10.1016/S1002-0721(08)60286-0 |
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| 作者姓名： | Jorma Hoelsae Taneli Laamanen Mika Lastusaari Janne Niittykoski Pavel Novak |
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| 作者单位： | [1]Department of Chemistry, University of Turku, FI-20014 Turku, Finland [2]Turku University Centre for Materials and Surface （MatSurf）, Turku, Finland [3]Graduate School of Materials Research （GSMR）, Turku, Finland [4]Inatitute of Physics, Academy of Sciences of the Czech Republic, CZ-16253 Prague 6, Czech Republic |
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| 基金项目： | Foundation item： Project supported by the Jenny and Antti Wihuri Foundation and the Academy of Finland Project （11705712006）Acknowledgements： The synchrotron radiation study was supported by the European Community-Research Infrastructure Action under the FP6 Structuring the European Research Area Programme （RII3-CT-2004-506008 （IA-SFS））. The help of Mrs. L. Pihlgren （University of Turku） and Dr. Gregory Stryganyuk （HASYLAB） in measuring the UV-VUV spectra is acknowledged, too. The DFT calculations were carded out using the supercomputing resources of the CSC IT Center for Science （Espoo, Finland）. The theoretical study was supported by research mobility agreements （112816/2006/JH and 116142/2006/JH, 123976/2007/TL） between the Academy of Finland and the Academy of Sciences of the Czech Republic. |
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| 摘 要： |
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| 关 键 词： | 电子结构 发光材料 铝酸锶 综合实验 基态结构 铕 密度泛函理论 辐射应用 |
| 收稿时间： | 2008-10-01 |
Electronic structure of the SrAl2O4:Eu persistent luminescence material |
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| Jorma Hoelsae Taneli Laamanen Mika Lastusaari Janne Niittykoski Pavel Novak. Electronic structure of the SrAl2O4:Eu persistent luminescence material[J]. Journal of Rare Earths, 2009, 27(4): 550-554. DOI: 10.1016/S1002-0721(08)60286-0 |
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| Authors: | Jorma Hoelsae Taneli Laamanen Mika Lastusaari Janne Niittykoski Pavel Novak |
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| Affiliation: | aDepartment of Chemistry, University of Turku, FI-20014 Turku, Finland;bTurku University Centre for Materials and Surface (MatSurf), Turku, Finland;cGraduate School of Materials Research (GSMR), Turku, Finland;dInstitute of Physics, Academy of Sciences of the Czech Republic, CZ-16253 Prague 6, Czech Republic |
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| Abstract: | The electronic structure of the strontium aluminate (SrAl2O4:Eu2+) materials was studied with a combined experimental and theoretical approach. The UV-VUV synchrotron radiation was applied in the experimental study while the electronic structure of the non-optimized and optimized crystal structure were investigated theoretically by using the density functional theory. The structure of the valence and conduction bands as well as the band gap energy of the material together with the position of the Eu2+ 4f7 8S7/2 ground state were calculated. The calculated band gap energy (6.4 eV) agreed well with the experimental value of 6.6 eV. The valence band consisted mainly of oxygen states whereas the bottom of the conduction band of strontium states. In agreement with the experimental results, the calculated 4f7 8S7/2 ground state of Eu2+ lies in the energy gap of the host. The position of the 4f7 ground state depended on the Coulomb repulsion strength. The position of the 4f7 ground state with respect to the valence and conduction bands was discussed using theoretical and experimental evidence available. |
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| Keywords: | strontium aluminate persistent luminescence electronic structure DFT calculation rare earths |
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