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

Lin Li, Ying Wang, Bing Hua Lei, Shujuan Han, Zhihua Yang, Kenneth R. Poeppelmeier*, Shilie Pan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

180 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)9101-9104
Number of pages4
JournalJournal of the American Chemical Society
Issue number29
StatePublished - Jul 27 2016

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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