Paper
20 November 2012 The structural and optical properties of (PbS)n clusters in the silica optical fiber material
Yana Shang, Long Li, Jianxiang Wen, Yanhua Dong, Tingyun Wang
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Abstract
The structures and optical properties of (PbS)n cluster in silica optical fiber material are investigated. The microstructures models of (PbS)n (n=1-4) and PbS-(SiO2)n (n=1-6) have been built and calculated by Gaussian-03 software using density functional theory with the B3LYP level. The gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) is also calculated for microstructures. Compared with the (PbS)n clusters and (SiO2)n clusters, The HOMO-LUMO gaps of (PbS)n clusters combined with (SiO2)n clusters make a big difference. The geometry structures of (PbS)n-(SiO2)4 (n=2-4) clusters are calculated by using the singles configuration interaction (CIS) method. The calculation results show that the excitation energies of (PbS)n-(SiO2)4 clusters changed as the sizes or the structures are changed. The PbS-doped silica optical fiber is fabricated, and the optical properties are measured to compare with the theoretical results.
© (2012) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Yana Shang, Long Li, Jianxiang Wen, Yanhua Dong, and Tingyun Wang "The structural and optical properties of (PbS)n clusters in the silica optical fiber material", Proc. SPIE 8564, Nanophotonics and Micro/Nano Optics, 85641V (20 November 2012); https://doi.org/10.1117/12.1000024
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KEYWORDS
Lead

Silica

Chemical species

Optical fibers

Molecules

Absorption

Optical properties

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