A New Deep-Ultraviolet Transparent Orthophosphate LiCs2PO4 with Large Second Harmonic Generation Response

详细信息    查看全文

• 作者：Lin Li ; Ying Wang ; Bing-Hua Lei ; Shujuan Han ; Zhihua Yang ; Kenneth R. Poeppelmeier ; Shilie Pan
• 刊名：Journal of the American Chemical Society
• 出版年：2016
• 出版时间：July 27, 2016
• 年：2016
• 卷：138
• 期：29
• 页码：9101-9104
• 全文大小：285K
• 年卷期：0
• ISSN：1520-5126

文摘

LiCs₂PO₄, a new deep-ultraviolet (UV) transparent material, was synthesized by the flux method. The material contains unusual edge-sharing LiO₄-PO₄ tetrahedra. It exhibits a very short absorption edge of λ = 174 nm and generates the largest powder second harmonic generation (SHG) response for deep-UV phosphates that do not contain additional anionic groups, i.e., 2.6 times that of KH₂PO₄ (KDP). First-principles electronic structure analyses confirm the experimental results and suggest that the strong SHG response may originate from the aligned nonbonding O-2p orbitals. The discovery and characterization of LiCs₂PO₄ provide a new insight into the structure–property relationships of phosphate-based nonlinear optical materials with large SHG responses and short absorption edges.