化学
带隙
四面体
单斜晶系
红外线的
熔点
二次谐波产生
分析化学(期刊)
漫反射红外傅里叶变换
碱金属
漫反射
结晶学
光学
晶体结构
光电子学
材料科学
物理
光催化
催化作用
有机化学
生物化学
色谱法
激光器
作者
Xiaoyu Luo,Fei Liang,Minqiang Zhou,Yangwu Guo,Łi Zhuang,Zheshuai Lin,Jiyong Yao,Yicheng Wu
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2018-07-13
卷期号:57 (15): 9446-9452
被引量:31
标识
DOI:10.1021/acs.inorgchem.8b01437
摘要
K2ZnGe3S8 belonging to the noncentrosymmetric space group P21 of the monoclinic system was discovered via a solid-state method. It possesses two-dimensional [ZnGe3S8]2– layers, with alkali-metal cations K+ located between the layers. On the basis of UV–vis–near-IR diffuse-reflectance spectrometry, the band gap of K2ZnGe3S8 is 3.36(2) eV. According to powder second-harmonic-generation (SHG) measurements, the SHG response of K2ZnGe3S8 is about 0.9 times that of AgGaS2 at the particle size range of 20–41 μm. Experimental results demonstrate that K2ZnGe3S8 keeps a good balance between a large band gap (3.36 eV) and a moderate SHG response. Moreover, according to the differential scanning calorimetry measurements, K2ZnGe3S8 melts congruently at around 1023 K and recrystallizes at about 963 K. Therefore, it is possible to obtain bulk single crystals via the Bridgman–Stockbarger method. The first-principles calculations indicate that the optical properties of K2ZnGe3S8 are dominantly determined by the [GeS4] tetrahedra as well as a small contribution from the [ZnS4] tetrahedra.
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