The determining factor of the luminescence energies of vanadate phosphors
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- MATSUSHIMA Yuta
- Department of Chemistry and Chemical Engineering, Yamagata University
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- SATO Akane
- Department of Chemistry and Chemical Engineering, Yamagata University
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- KITAURA Mamoru
- Faculty of Science, Yamagata University
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- KOMINAMI Hiroko
- Department of Electronics and Materials Science, Shizuoka University
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- HARA Kazuhiko
- Research Institute of Electronics, Shizuoka University
説明
<p>The molecular orbital calculations based on the DV-Xα method were carried out for several vanadate phosphors of Sr2VO4Cl, Ca2VO4Cl, Ba2V2O7, Mg3(VO4)2, and Zn3(VO4)2, of which the luminescent colors range from deep-blue to yellow through green. The structural refinement with the X-ray diffraction technique preceded the DV-Xα calculations to provide a theoretical interpretation on the relationship between the crystal structures and the luminescent colors (luminescence energies) of the vanadate phosphors. The partial density of states obtained in the DV-Xα calculations reasonably explained the lowest excitation energies of the vanadate phosphors. The calculations also exhibited the difference in the bonding characters among the ligand oxygens in a VO4 tetrahedron due to the structural distortion. The relatively large contributions of the ionically coordinated oxygens were proposed on determining the luminescence energies. A linear correlation was deduced between the luminescence energies and the averaged V–O distances with the selected oxygens ionically coordinated to V.</p>
収録刊行物
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- Journal of the Ceramic Society of Japan
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Journal of the Ceramic Society of Japan 127 (9), 627-635, 2019-09-01
公益社団法人 日本セラミックス協会
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詳細情報 詳細情報について
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- CRID
- 1390282752321164800
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- NII論文ID
- 130007700439
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- ISSN
- 13486535
- 18820743
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- Crossref
- CiNii Articles
- KAKEN
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- 抄録ライセンスフラグ
- 使用不可