A Congruent-Melt Infrared Nonlinear Optical Crystal Na₄SrAs₂S₈.

IF 4.3 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2024-08-12 Epub Date: 2024-07-31 DOI:10.1021/acs.inorgchem.4c02840

Zhihui Xiong, Aoge Yao, Zhixi Li, Xianghe Meng, Qian Wu, Guowei Deng, Lei Kang, Mingjun Xia

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Abstract

A quaternary metal thioarsenate infrared (IR) nonlinear optical (NLO) compound Na₄SrAs₂S₈ was successfully prepared by a high-temperature reaction method from stoichiometric agents. It crystallizes in the tetragonal P4n2 with the unit cell parameters a = 10.0393(3) Å, c = 6.9638(3) Å, and Z = 2, with the basic structural groups of isolated AsS₄ tetrahedra. Compared with benchmark IR NLO crystal AgGaS₂ (AGS), the title compound exhibits balanced optical properties of large band gap (3.05 eV vs. 2.60 eV) and considerable second harmonic generation response (0.95 × AGS). Moreover, the combined powder X-ray diffraction and differential scanning calorimetry analyses demonstrate that Na₄SrAs₂S₈ is a congruent-melting compound with a low melting point of 668 °C, which is benefical for bulk single crystal growth. Experimental and theoretical calculation results indicate that Na₄SrAs₂S₈ is a practically usable IR NLO crystal, also motivating the exploration of thioarsenates as high-performance IR NLO candidates.

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同熔红外非线性光学晶体 Na4SrAs2S8。

通过高温反应方法，成功地从化学试剂中制备出了四价金属硫代砷酸盐红外（IR）非线性光学（NLO）化合物 Na4SrAs2S8。该化合物为四方 P4n2 结晶，单胞参数 a = 10.0393(3) Å，c = 6.9638(3) Å，Z = 2，基本结构基团为孤立的 AsS4 四面体。与基准红外 NLO 晶体 AgGaS2（AGS）相比，标题化合物表现出均衡的光学特性：带隙大（3.05 eV 对 2.60 eV），二次谐波发生响应高（0.95 × AGS）。此外，粉末 X 射线衍射和差示扫描量热分析表明，Na4SrAs2S8 是一种同熔化合物，熔点低至 668 ℃，有利于块状单晶生长。实验和理论计算结果表明，Na4SrAs2S8 是一种实际可用的红外 NLO 晶体，这也激发了人们对硫代砷酸盐作为高性能红外 NLO 候选物的探索。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.

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