紫外线
透明度(行为)
透射率
化学
深蓝色
Crystal(编程语言)
光学
光电子学
非线性光学
非线性光学
带隙
非线性系统
激光器
材料科学
光化学
计算机科学
物理
计算机安全
程序设计语言
量子力学
作者
Yang Zhou,Xiaomeng Liu,Zheshuai Lin,Yanqiang Li,Qingran Ding,Youchao Liu,Yangxin Chen,Sangen Zhao,Maochun Hong,Junhua Luo
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2021-12-09
卷期号:60 (24): 18950-18956
被引量:7
标识
DOI:10.1021/acs.inorgchem.1c02764
摘要
Accurately designing and synthesizing new deep-ultraviolet (deep-UV) nonlinear optical (NLO) crystals that are limited by the so-called "200 nm wall" on their transparency windows remain challenging. On the basis of a bandgap-directed computer-aided material design approach, two new NLO sulfates, KMgSO4F and KZnSO4F, are designed and successfully synthesized. They feature three-dimensional frameworks closely related to the commercial NLO crystal, KTiOPO4 (KTP). Remarkably, the transmittance spectrum based on a single crystal indicates that the transparency window of KZnSO4F is significantly blue-shifted to <190 nm from 350 nm for KTP. The microscopic origin of this significant transparent window blue shift is illustrated well by first-principles calculations. This work pushes the transparency windows of KTP-like NLO sulfates into the deep-UV spectral region for the first time and will pave a prospective way to the accurate design and synthesis of new deep-UV NLO materials.
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