Abstract
We report silica fiber with trivalent bismuth (Bi3+) in first-principles calculations. The influences of members of “Si–O–Si” rings are considered to study atomic structures, frontier molecular orbital and optical properties of Bi-doped optical fiber. Our results reveal that the luminescence of Bi3+-doped optical fiber is the result of a combination of Bi3+ ions and silica matrix. Different ring structures affect the luminescence properties, which explained why Bi3+-doped silica fiber usually cover a broad spectral range from the UV to visible light.
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Acknowledgements
This work was supported by the National Key Research and Development Program of China (No. 2017YFB0405100). We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC).
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Jia, B., Lu, P., Zhang, J. et al. Influence of Ring Structures on Optical Properties of Trivalent Bismuth in Bi-Doped Silica Optical Fiber. J Clust Sci 29, 861–865 (2018). https://doi.org/10.1007/s10876-018-1362-x
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DOI: https://doi.org/10.1007/s10876-018-1362-x