Comparative investigations of the crystal structure and photoluminescence property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3
In this study, the Ba3Eu(PO4)3 and Sr3Eu(PO4)3 compounds were synthesized and the crystal structures were determined for the first time by Rietveld refinement using powder X-ray diffraction (XRD) patterns. Ba3Eu-(PO4)3 crystallizes in cubic space group I4¯3d, with cell parameters of a = 10.47996(9)...
| Published in: | Dalton transactions Vol. 44, № 16. P. 7679-7686 |
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| Corporate Author: | |
| Other Authors: | , , , , , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000526159 Перейти в каталог НБ ТГУ |
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| 024 | 7 | |a 10.1039/c4dt03887h |2 doi | |
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| 039 | 9 | |a 201812021545 |c 201703240939 |d cat202 |c 201603110904 |d cat202 |c 201603091509 |d VLOAD |y 201603091448 |z Александр Эльверович Гилязов | |
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| 245 | 1 | 0 | |a Comparative investigations of the crystal structure and photoluminescence property of eulytite-type Ba3Eu(PO4)3 and Sr3Eu(PO4)3 |c H. Ji, Z. Huang, Z. Xia [et.al.] |
| 504 | |a Библиогр.: 65 назв. | ||
| 520 | 3 | |a In this study, the Ba3Eu(PO4)3 and Sr3Eu(PO4)3 compounds were synthesized and the crystal structures were determined for the first time by Rietveld refinement using powder X-ray diffraction (XRD) patterns. Ba3Eu-(PO4)3 crystallizes in cubic space group I4¯3d, with cell parameters of a = 10.47996(9) Å, V = 1151.01(3) Å3 and Z = 4; Ba2+ and Eu3+ occupy the same site with partial occupancies of 3/4 and 1/4, respectively. Besides, in this structure, there exists two distorted kinds of the PO4 polyhedra orientation. Sr3Eu(PO4)3 is isostructural to Ba3Eu(PO4)3 and has much smaller cell parameters of a = 10.1203(2) Å, V = 1036.52(5) Å3. The bandgaps of Ba3Eu(PO4)3 and Sr3Eu(PO4)3 are determined to be 4.091 eV and 3.987 eV, respectively, based on the UV-Vis diffuse reflectance spectra. The photoluminescence measurements reveal that, upon 396 nm n-UV light excitation, Ba3Eu(PO4)3 and Sr3Eu(PO4)3 exhibit orange-red emission with two main peaks at 596 nm and prevailing 613 nm, corresponding to the 5D0 → 7F1 and 5D0 → 7F2 transitions of Eu3+, respectively. The dynamic disordering in the crystal structures contributes to the broadening of the luminescence spectra. The electronic structure of the hosphates was calculated by the first-principles method. The analysis elucidats that the band structures are mainly governed by the orbits of phosphorus, oxygen and europium, and the sharp peaks of the europium f-orbit occur at the top of the valence bands. | |
| 653 | |a европий | ||
| 653 | |a фотолюминесценция | ||
| 653 | |a фосфаты | ||
| 655 | 4 | |a статьи в журналах |9 879358 | |
| 700 | 1 | |a Ji, Haipeng |9 158263 | |
| 700 | 1 | |a Xia, Zhiguo |9 158264 | |
| 700 | 1 | |a Molokeev, Maxim S. |9 95853 | |
| 700 | 1 | |a Jiang, Xingxing |9 218035 | |
| 700 | 1 | |a Lin, Zheshuai |9 218039 | |
| 700 | 1 | |a Atuchin, Victor V. |9 95830 | |
| 700 | 1 | |a Huang, Zhaohui |9 158267 | |
| 710 | 2 | |a Томский государственный университет |b Радиофизический факультет |b Научные подразделения РФФ |9 107063 | |
| 773 | 0 | |t Dalton transactions |d 2015 |g Vol. 44, № 16. P. 7679-7686 |x 1477-9226 | |
| 852 | 4 | |a RU-ToGU | |
| 856 | 7 | |u http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000526159 | |
| 856 | |y Перейти в каталог НБ ТГУ |u https://koha.lib.tsu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=388514 | ||
| 908 | |a статья | ||
| 999 | |c 388514 |d 388514 | ||