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Na2ZnGe2S6: A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold

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† Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Chinese Academy of Sciences, 40-1 South Beijing Road, Urumqi 830011, China
‡ University of Chinese Academy of Sciences, Beijing 100049, China
*E-mail: [email protected]
*E-mail: [email protected]
Cite this: J. Am. Chem. Soc. 2016, 138, 23, 7422–7428
Publication Date (Web):May 19, 2016
https://doi.org/10.1021/jacs.6b03734
Copyright © 2016 American Chemical Society
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Abstract

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The development of frequency-conversion technology in the infrared region is in urgent need of new excellent infrared nonlinear optical (IR NLO) materials. How to achieve a good balance between laser damage threshold (LDT) and NLO coefficient (dij) for new IR NLO candidates is still a challenge. The combination of the highly electropositive alkali metal (Na) and Zn with d10 electronic configuration into crystal structure affords one new IR NLO material, Na2ZnGe2S6. It exhibits excellent properties including a wide transparent region (0.38–22 μm), large band gap (3.25 eV), and especially a balance between a strong NLO coefficient (30-fold that of KDP) and a high LDT (6-fold that of AgGaS2), indicating a promising application in the IR region. Moreover, novel common-vertex-linked wavelike ∞[GeS3]n chains are interestingly discovered in Na2ZnGe2S6, which rarely exist in the reported thiogermanides containing alkali metals. In addition, calculated SHG density and dipole moment demonstrate that the large NLO response is mainly attributed to the cooperative effects of the [GeS4] and [ZnS4] units.

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The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/jacs.6b03734.

  • Atomic coordinates and isotropic displacement parameters; selected bond distances and angles; Raman spectrum; local dipole moment calculation (PDF)

  • Crystallographic information file for Na2ZnGe2S6 (CIF)

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  93. Dajiang Mei, Jianqiao Jiang, Fei Liang, Shiyan Zhang, Yuandong Wu, Congting Sun, Dongfeng Xue, Zheshuai Lin. Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 7. Journal of Materials Chemistry C 2018, 6 (11) , 2684-2689. https://doi.org/10.1039/C7TC05693A
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  124. Maierhaba Abudoureheman, Shujuan Han, Bing-Hua Lei, Zhihua Yang, Xifa Long, Shilie Pan. KPb 2 (PO 3 ) 5 : a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge. Journal of Materials Chemistry C 2016, 4 (45) , 10630-10637. https://doi.org/10.1039/C6TC03424A

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