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Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12)
A new germanate garnet compound, Ce(2)CaMg(2)Ge(3)O(12), 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 BaCl(2)-CaCl(2) melt. The single crystals were characterized by single-crystal X-ray diffraction...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Frontiers Media S.A.
2020
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7039934/ https://www.ncbi.nlm.nih.gov/pubmed/32133343 http://dx.doi.org/10.3389/fchem.2020.00091 |
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author | Chen, Jie Yan, Hong Kuwabara, Akihide Smith, Mark D. Iwasa, Yuki Ogino, Hiraku Matsushita, Yoshitaka Tsujimoto, Yoshihiro Yamaura, Kazunari zur Loye, Hans-Conrad |
author_facet | Chen, Jie Yan, Hong Kuwabara, Akihide Smith, Mark D. Iwasa, Yuki Ogino, Hiraku Matsushita, Yoshitaka Tsujimoto, Yoshihiro Yamaura, Kazunari zur Loye, Hans-Conrad |
author_sort | Chen, Jie |
collection | PubMed |
description | A new germanate garnet compound, Ce(2)CaMg(2)Ge(3)O(12), 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 BaCl(2)-CaCl(2) 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) Å 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 (λ = 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. |
format | Online Article Text |
id | pubmed-7039934 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Frontiers Media S.A. |
record_format | MEDLINE/PubMed |
spelling | pubmed-70399342020-03-04 Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) Chen, Jie Yan, Hong Kuwabara, Akihide Smith, Mark D. Iwasa, Yuki Ogino, Hiraku Matsushita, Yoshitaka Tsujimoto, Yoshihiro Yamaura, Kazunari zur Loye, Hans-Conrad Front Chem Chemistry A new germanate garnet compound, Ce(2)CaMg(2)Ge(3)O(12), 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 BaCl(2)-CaCl(2) 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) Å 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 (λ = 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. Frontiers Media S.A. 2020-02-18 /pmc/articles/PMC7039934/ /pubmed/32133343 http://dx.doi.org/10.3389/fchem.2020.00091 Text en Copyright © 2020 Chen, Yan, Kuwabara, Smith, Iwasa, Ogino, Matsushita, Tsujimoto, Yamaura and zur Loye. http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. |
spellingShingle | Chemistry Chen, Jie Yan, Hong Kuwabara, Akihide Smith, Mark D. Iwasa, Yuki Ogino, Hiraku Matsushita, Yoshitaka Tsujimoto, Yoshihiro Yamaura, Kazunari zur Loye, Hans-Conrad Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) |
title | Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) |
title_full | Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) |
title_fullStr | Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) |
title_full_unstemmed | Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) |
title_short | Flux Crystal Growth, Crystal Structure, and Optical Properties of New Germanate Garnet Ce(2)CaMg(2)Ge(3)O(12) |
title_sort | flux crystal growth, crystal structure, and optical properties of new germanate garnet ce(2)camg(2)ge(3)o(12) |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7039934/ https://www.ncbi.nlm.nih.gov/pubmed/32133343 http://dx.doi.org/10.3389/fchem.2020.00091 |
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