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Balanced Second-Order Nonlinear Optical Properties of Adducts CHI3·(S8)3 and AsI3·(S8)3: A Systematic Survey
journal contribution
posted on 2019-03-15, 12:49 authored by Zhen-Tao Lu, Zong-Dong Sun, Yang Chi, Huai-Guo Xue, Sheng-Ping GuoTwo
isostructural adducts CHI3·(S8)3 (1) and AsI3·(S8)3 (2) are synthesized by a simple solution method. Both
of them crystallize in noncentrosymmetric R3m, featuring van der Waals interaction linked CHI3 tetrahedra or SbI3 trigonal pyramids with crown-like
S8 molecules. Both 1 and 2 show
strong SHG responses and phase matchability under either 1.064 or
2.1 μm. The results of DFT calculations indicate that the electron
transfer happens from S-3p to I-5p orbitals, and both of them demonstrate
indirect band gaps. The NLO effects of 1 and 2 are almost fully contributed from the CHI3 or AsI3 units. Compared with AgGaS2, their powder laser
damage thresholds are ca. 15 and 51 times higher.
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Keywords
phase matchabilityAgGaS 2van der Waals interaction2.1 μ mnoncentrosymmetric R 3 mSecond-Order Nonlinear Optical PropertiesCHI 3 tetrahedra51 timeselectron transfersolution methodpowder laser damage thresholds-5p orbitalsSHG responsesSystematic SurveyS -3pSbI 3AsI 3 unitsNLO effectsDFT calculations2 showCHI 3crown-like S 8 moleculesband gaps
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