Non-centrosymmetric Selenides AZn₄In₅Se₁₂ (A=Rb, Cs): Synthesis, Characterization and Nonlinear Optical Properties

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• 作者：Dr. Hua Lin ; Yu-Jun Zheng ; Xiao-Ning Hu ; Hong Chen ; Ju-Song Yu and Prof. Li-Ming Wu
• 刊名：Chemistry – An Asian Journal
• 出版年：2017
• 出版时间：February 16, 2017
• 年：2017
• 卷：12
• 期：4
• 页码：453-458
• 全文大小：1428K
• ISSN：1861-471X

文摘

Two new non-centrosymmetric polar quaternary selenides, namely, RbZn₄In₅Se₁₂ and CsZn₄In₅Se₁₂, have been synthesized and structurally characterized. They exhibit a 3D diamond-like framework (DLF) consisting of corner-shared MSe₄ (M=Zn/In) tetrahedra, in which the A⁺ ions are located. Both compounds are thermally stable up to 1300 K and exhibit large transmittance in the infrared region (0.65–25 μm) with measured optical band gaps of 2.06 eV for RbZn₄In₅Se₁₂ and 2.11 eV for CsZn₄In₅Se₁₂. Inspiringly, they exhibit a good balance between strong second harmonic generation (SHG) efficiency (3.9 and 3.5×AgGaS₂) and high laser-induced damage thresholds (13.0×AgGaS₂). Theoretical calculations based on density functional theory (DFT) methods confirm that such strong SHG responses originate from the 3D DLF structure.