Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3•3H2O

被引：3

作者：

Wu, Chao ^{[1
]}

Lin, Lin ^{[1
]}

Wu, Tianhui ^{[1
]}

Huang, Zhipeng ^{[1
]}

Zhang, Chi ^{[1
]}

机构：

[1] Tongji Univ, China Australia Joint Res Ctr Funct Mol Mat, Sch Chem Sci & Engn, Shanghai 200092, Peoples R China

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2021年 / 298卷

基金：

中国国家自然科学基金;

关键词：

Carbonate; Nonlinear optical crystal; Ultraviolet; Second-harmonic generation; CRYSTAL-STRUCTURE; BERYLLIUM-FREE; ELECTRONIC-STRUCTURE; FLUORIDE CARBONATES; UV; RB; RESPONSES; ABCO(3)F; CA; CS;

D O I：

10.1016/j.jssc.2021.122095

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

An ultraviolet (UV) transparent carbonate Na3Y(CO3)(3)center dot 3H(2)O was synthesized using a mild hydrothermal method. Na3Y(CO3)(3)center dot 3H(2)O crystallizes in the polar and non-centrosyrnmetric space group Pna2(1). The structure of Na3Y(CO3)(3)center dot 3H(2)O features a three-dimensional (3D) framework composed of [Y(CO3)(3)(H2O)(3)] units that are further bridged by Na+ cations and hydrogen bonds. Powder second-harmonic generation (SHG) measurement shows that Na3Y(CO3)(3)center dot 3H(2)O exhibits phase-matching behavior, and the measured SHG intensity was 2.0 times that of benchmark KH2PO4 (KDP). The diffuse reflectance spectrum shows that the UV cutoff edge is about 236 nm (5.25 eV) for Na3Y(CO3)(3)center dot 3H(2)O. Theoretical studies based on density functional theory have been implemented to further understand the relationship between its optical properties and electronic structures.

引用

页数：6

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