Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 123, Issue 14, Pages 8656-8662Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.9b00395
Keywords
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Funding
- National Key Research and Development Program of China [2017YFB0403200]
- National Natural Science Foundation of China [51832005, 51602019]
- Fundamental Research Funds for the Central Universities [FRF-TP-17-005A2]
- China Scholarship Council (CSC)
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Herein, we provide a direct explanation for the reverse garnet effect based on polyhedron competition. On multisite substitution, the deformation of the dodecahedron which will accommodate Ce3+ meets suppression from a neighboring octahedron and tetrahedron. This makes the dodecahedral deformation non-isotropic. Further, it is found that the lowest 5d state of Ce3+ in garnet is closely related to the tetragonal distortion of the dodecahedron, which is characterized by a simplified cuboid model. Crystal-field calculations reveal how the edge-ratio of the cuboid affects energy levels. This model gives a satisfactory explanation for the reverse garnet effect and is helpful for seeking novel garnet-based luminescent materials.
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