title: A New Deep-Ultraviolet Transparent Orthophosphate LiCs2PO4 with Large Second Harmonic Generation Response.
abstract: 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.
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.|University of Chinese Academy of Sciences , Beijing 100049, China.
authors.forename: Lin
authors.initials: L
authors.lastname: Li
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.
authors.forename: Ying
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.|University of Chinese Academy of Sciences , Beijing 100049, China.
authors.forename: Bing-Hua
authors.initials: BH
authors.lastname: Lei
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.
authors.forename: Shujuan
authors.initials: S
authors.lastname: Han
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.
authors.forename: Zhihua
authors.initials: Z
authors.lastname: Yang
authors.affiliation: Department of Chemistry, Northwestern University , 2145 Sheridan Road, Evanston, Illinois 60208-3113, United States.
authors.forename: Kenneth R
authors.initials: KR
authors.lastname: Poeppelmeier
authors.affiliation: Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics & Chemistry of CAS , 40-1 South Beijing Road, Urumqi 830011, China.
authors.forename: Shilie
authors.initials: S
authors.lastname: Pan