Spectroscopic study of the Eu3+ local symmetry in EuF3 crystal
[Display omitted] •The EuF3 crystal was studied through the SOM with the MENN.•The Eu3+ local symmetry was suggested by the emission spectrum and amount of non-null crystal field parameters.•The 7F1, 7F2,5D1 energy sublevels and the 7F1 manifold splitting were calculated.•The calculations showed goo...
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Veröffentlicht in: | Journal of fluorine chemistry 2021-03, Vol.243, p.109730, Article 109730 |
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Sprache: | eng |
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•The EuF3 crystal was studied through the SOM with the MENN.•The Eu3+ local symmetry was suggested by the emission spectrum and amount of non-null crystal field parameters.•The 7F1, 7F2,5D1 energy sublevels and the 7F1 manifold splitting were calculated.•The calculations showed good accuracy with experimental data.
We employed the simple overlap model (SOM) with the method of equivalent nearest neighbours (MENN) to indicate the local symmetry of the Eu3+ in the europium trifluoride (EuF3) compound through two analyses based on the emission spectra. In first situation, three lines were observed at the 5D0 → 7F1 (0-1) transition. Therefore, based on the amount of non-null crystal field parameters, we indicate that the Eu ion occupies a site with distorted inversion centre as a combination of C2 and C2h symmetries, with the following charge factors: g1 = 0.438, g2 = 0.292, g3 = 0.411, g4 = 0.201, g5 = 0.396 and g6 = 0.293. In second situation, with two lines at the 0-1 transition, we suggested the luminescent site as a combination of the D3d and D3h symmetries with g1 = 0.279 and g2 = 0.495. The 7F1 manifold splitting was obtained through Auzel-Malta equation. All theoretical calculations reproduced satisfactorily the 7F1, 7F2 and 5D1 energy sublevels in good agreement with experimentals data. |
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ISSN: | 0022-1139 1873-3328 |
DOI: | 10.1016/j.jfluchem.2021.109730 |