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Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce2CaMg2Ge3O12
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| Title: | Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce2CaMg2Ge3O12 |
| Authors: | Chen, Jie Browse this author | | Yan, Hong Browse this author | | Kuwabara, Akihide Browse this author | | Smith, Mark D. Browse this author | | Iwasa, Yuki Browse this author | | Ogino, Hiraku Browse this author | | Matsushita, Yoshitaka Browse this author | | Tsujimoto, Yoshihiro Browse this author | | Yamaura, Kazunari Browse this author | | Zur Loye, Hans-Conrad Browse this author |
| Keywords: | flux crystal growth | | garnet | | germanate | | single crystal | | photoluminescence |
| Issue Date: | 18-Feb-2020 |
| Publisher: | Frontiers Media |
| Journal Title: | Frontiers in Chemistry |
| Volume: | 8 |
| Start Page: | 91 |
| Publisher DOI: | 10.3389/fchem.2020.00091 |
| Abstract: | A new germanate garnet compound, Ce2CaMg2Ge3O12, was synthesized via flux crystal growth. Truncated spherical, reddish-orange single crystals with a typical size of 0.1-0.3 mm were grown out of a BaCl2-CaCl2 melt. The single crystals were characterized by single-crystal X-ray diffraction analysis, which revealed that it adopted a cubic garnet-type structure with a = 12.5487(3) angstrom in the space group Ia-3d. Its composition is best described as A(3)B(2)C(3)O(12), where Ce/Ca, Mg, and Ge occupied the A, B, and C sites, respectively. A UV-vis absorption spectroscopy measurement on the germanate garnet revealed a clear absorption edge corresponding to a band gap of 2.21 eV (lambda = 561 nm). First-principle calculations indicated that the valence band maximum was composed of Ce 4f bands, whereas the conduction band minimum mainly consisted of Ce 5d bands. These findings explain the observed absorption edge through the Ce 4f -> 5d absorption. Photoluminescence emission spectra exhibited a very broad peak centered at 600 nm, corresponding to transition from the lowest energy d level to the 4f levels. |
| Rights: | https://creativecommons.org/licenses/by/4.0/ |
| Type: | article |
| URI: | http://hdl.handle.net/2115/77496 |
| Appears in Collections: | 総合化学院 (Graduate School of Chemical Sciences and Engineering) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)
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