Dual-Emission Origins in Bi3+-Doped M2O3 Sesquioxides (M = Sc, Y, Gd and Lu): A First-Principles Study
Abstract
:1. Introduction
2. Methods
3. Results and Discussion
3.1. Properties of the M2O3 Hosts
3.2. The Defect Properties of M2O3:Bi3+
3.3. The Luminescence Mechanism of M2O3:Bi3+
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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MMCT | CT | A Band | Spectra Data 1 | |||||
---|---|---|---|---|---|---|---|---|
Exc. | Emi. | Exc. | Emi. | Exc. | Emi. | Exc. | Emi. | |
Sc2O3 (C2) | 4.70 | 3.53 | 6.10 | 4.31 | 3.57 | 2.33 | 3.70 | 2.46 |
Sc2O3 (S6) | 4.88 | 3.56 | 5.71 | 4.39 | 3.35 | 3.08 | 3.35 | 3.05 |
Y2O3 (C2) | 4.97 | 3.84 | 5.85 | 3.72 | 3.62 | 2.29 | 3.70 | 2.55 |
Y2O3 (S6) | 5.11 | 3.90 | 5.54 | 3.96 | 3.29 | 3.00 | 3.35 | 3.02 |
Gd2O3 (C2) | 4.84 | 3.65 | 5.84 | 3.76 | 3.59 | 2.30 | 3.70 | 2.48 |
Gd2O3 (S6) | 4.96 | 3.74 | 5.51 | 3.97 | 3.33 | 3.00 | 3.29 | 2.96 |
Lu2O3 (C2) | 4.88 | 3.71 | 5.93 | 3.82 | 3.77 | 2.31 | 3.78 | 2.63 |
Lu2O3 (S6) | 5.11 | 3.90 | 5.58 | 3.97 | 3.47 | 3.09 | 3.34 | 3.05 |
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Bai, H.; Lou, B.; Kurboniyon, M.S.; Suchocki, A.; Brik, M.G.; Wang, J.; Ma, C. Dual-Emission Origins in Bi3+-Doped M2O3 Sesquioxides (M = Sc, Y, Gd and Lu): A First-Principles Study. Materials 2024, 17, 2039. https://doi.org/10.3390/ma17092039
Bai H, Lou B, Kurboniyon MS, Suchocki A, Brik MG, Wang J, Ma C. Dual-Emission Origins in Bi3+-Doped M2O3 Sesquioxides (M = Sc, Y, Gd and Lu): A First-Principles Study. Materials. 2024; 17(9):2039. https://doi.org/10.3390/ma17092039
Chicago/Turabian StyleBai, Haonian, Bibo Lou, Mekhrdod S. Kurboniyon, Andrzej Suchocki, Mikhail G. Brik, Jing Wang, and Chonggeng Ma. 2024. "Dual-Emission Origins in Bi3+-Doped M2O3 Sesquioxides (M = Sc, Y, Gd and Lu): A First-Principles Study" Materials 17, no. 9: 2039. https://doi.org/10.3390/ma17092039