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Proceedings Paper

The structural and optical properties of (PbS)n clusters in the silica optical fiber material
Author(s): Yana Shang; Long Li; Jianxiang Wen; Yanhua Dong; Tingyun Wang
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Paper 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.

Paper Details

Date Published: 20 November 2012
PDF: 6 pages
Proc. SPIE 8564, Nanophotonics and Micro/Nano Optics, 85641V (20 November 2012); doi: 10.1117/12.1000024
Show Author Affiliations
Yana Shang, Shanghai Univ. (China)
Long Li, Shanghai Univ. (China)
Jianxiang Wen, Shanghai Univ. (China)
Yanhua Dong, Shanghai Univ. (China)
Tingyun Wang, Shanghai Univ. (China)

Published in SPIE Proceedings Vol. 8564:
Nanophotonics and Micro/Nano Optics
Zhiping Zhou; Kazumi Wada, Editor(s)

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