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- Title
Luminescent properties and first-principles calculations of (Cr,Ca):YAG crystals.
- Authors
Wan, Yan; Li, Meiyu; Xie, Erjuan; Xu, Shoulei; Huang, Yuyang; Deng, Wen
- Abstract
The single crystals of YAG, Cr:YAG and (Cr,Ca):YAG were grown in an optical floating zone furnace. The experimental results show that the optical bandgap of the YAG, (Cr,Ca):YAG and Cr:YAG crystals is about 6.52, 6.31 and 5.50 eV, respectively. The optical bandgap of the (Cr,Ca):YAG crystal is smaller than YAG and larger than Cr:YAG. First-principles calculation results showed that the additions of Cr into YAG will give rise to the change of the electronic states. In a Cr:YAG crystal, the Cr impurity introduces a band of 3 occupied state near the Fermi level, which significantly narrowed the bandgap of Cr:YAG. In a (Cr,Ca):YAG crystal, as the Ca ions substitute for the Y ions, some of the Cr ions will change into Cr ions due to the charge balance, which increased the bandgap of the (Cr,Ca):YAG crystal in comparison with that of the Cr:YAG crystal. The calculation is in agreement with the experimental results.
- Subjects
SINGLE crystals; PHOTONIC band gap structures; LUMINESCENCE spectroscopy; SINGLE crystals spectra; CARBENES
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, Vol 31, Issue 16-19, p-1
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979217440702