Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry , Chinese Academy of Sciences , Beijing 100190 , P. R. China.
University of Chinese Academy of Sciences , Beijing 100049 , P. R. China.
Inorg Chem. 2018 Sep 4;57(17):10503-10506. doi: 10.1021/acs.inorgchem.8b02113. Epub 2018 Aug 22.
The thiophosphate ZnPS is reported for its potential application in infrared (IR) nonlinear optics. This nondeliquescent compound features a cubic closet packing of the (PS) groups, with Zn filling in three-quarters of the tetrahedral interspaces. The optical band gap of ZnPS is characterized as 3.12 eV, which is very beneficial to improving the laser damage threshold. Besides, ZnPS demonstrates good phase matchability (PM) with a strong second-harmonic-generation (SHG) response that is about 2.6 times that of AgGaS, achieving a valuable balance among good phase matchability, strong SHG response, and large optical band gap. The origin of these attractive optical properties is investigated in detail via theoretical calculations. Moreover, the differential scanning calorimetry curve indicates a congruent-melting thermal behavior of ZnPS, which is conducive to large single-crystal growth. The excellent comprehensive performance of ZnPS makes it a practically usable IR nonlinear-optical candidate.
报道了一种具有潜在应用价值的硫代磷酸盐 ZnPS，它在红外（IR）非线性光学领域有一定应用。这种非潮解化合物的（PS）基团呈立方密堆积，Zn 填充在四分之一的四面体空隙中。ZnPS 的光学带隙为 3.12eV，这非常有利于提高激光损伤阈值。此外，ZnPS 表现出良好的相位匹配（PM）特性和较强的二次谐波产生（SHG）响应，其 SHG 响应大约是 AgGaS 的 2.6 倍，在良好的相位匹配、较强的 SHG 响应和较大的光学带隙之间实现了良好的平衡。通过理论计算详细研究了这些有吸引力的光学性质的起源。此外，差示扫描量热法曲线表明 ZnPS 具有一致熔融的热行为，这有利于单晶的大规模生长。ZnPS 优异的综合性能使其成为一种实际可用的 IR 非线性光学候选材料。
