Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce2CaMg2Ge3O12

Chen, Jie; Yan, Hong; Kuwabara, Akihide et al.

Frontiers in Chemistry, 2020, 8, 91

Permalink : https://hdl.handle.net/2115/77496

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アクセス権
open access
URI
https://hdl.handle.net/2115/77496
タイトル
Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce2CaMg2Ge3O12
著者
Chen, Jie ; Yan, Hong ; Kuwabara, Akihide ; Smith, Mark D. ; Iwasa, Yuki ; Ogino, Hiraku ; Matsushita, Yoshitaka ; Tsujimoto, Yoshihiro ; Yamaura, Kazunari ; Zur Loye, Hans-Conrad
著者名
Chen, Jie
著者名
Yan, Hong
著者名
Kuwabara, Akihide
著者名
Smith, Mark D.
著者名
Iwasa, Yuki
著者名
Ogino, Hiraku
著者名
Matsushita, Yoshitaka
著者名
Tsujimoto, Yoshihiro
著者名
Yamaura, Kazunari
著者名
Zur Loye, Hans-Conrad
言語
英語
キーワード
flux crystal growth
garnet
germanate
single crystal
photoluminescence
発行日
2020-02-18
出版者
Frontiers Media
収録物名
Frontiers in Chemistry
巻(号)
8
ページ
91
抄録
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.
資源タイプ
学術雑誌論文
出版タイプ
Version of Record
権利情報
Creative Commons Attribution 4.0 International
PISSN
2296-2646
関連情報 (isIdenticalTo)
出版社版DOI
https://doi.org/10.3389/fchem.2020.00091