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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
single crystal
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.
Type: article
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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