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Theoretical studies on third-order nonlinear optical property

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_ZnS_6_12_团簇三阶非线性光学性质的理论研究.pdf (495.8Kb)
Date
2007
Author
Zhang Xin
张欣
Huang Ting-Ting
黄婷婷
Tan Kai
谭凯
Lin Meng-Hai
林梦海
Zhang Qian-Er
张乾二
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  • 化学化工-已发表论文 [14469]
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Abstract
The third-order nonlinear optical ( NLO) properties of ( ZnS) (6-12) were investigated under the time dependent density functional theory(TDDFT) at B3LYP/ Lanl2lZ +6-31G(center dot) level. The static third-order susceptibilities chi((3)) and dynamic behavior of third-order polarizabilities gamma in 0 - 2.5 eV were calculated by using the sum over states( SOS) method. The results show that the X (3) of ( ZnS) 6-12 clusters are better than that of the other semiconducting clusters. (ZnS)(7) and (ZnS)(11), respectively, had a remarkable gamma value of -2.38 x 10(-33) and 1.26 X 10(-13) esu at 1.6 and 2. 0 eV. The ( ZnS)(6-12) clusters can produce an obvious phenomenon of the third-order polarizabilities when they are excited in a large gamma value area.
Citation
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2007,28(6):1126-1130
URI
http://dx.doi.org/doi:CNKI:SUN:GDXH.0.2007-06-033
https://dspace.xmu.edu.cn/handle/2288/9389

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