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Li<sub>2.9</sub>Cs<sub>1.1</sub>(SO<sub>4</sub>)<sub>2</sub>: An Ultraviolet Transparent Sulfate as a Nonlinear Optical Crystal

Wen Yang, Lehui Liu, Lizhen Zhang, Yisheng Huang, Feifei Yuan, Zhoubin Lin

2023Crystal Growth & Design13 citationsDOI

Abstract

In this work, the slow evaporation method of room temperature was used to grow an ultraviolet (UV) transparent nonlinear optical (NLO) crystal of Li 2.9 Cs 1.1 (SO 4 ) 2 (LCSO). It crystallizes in space group Pmc 2 1 . The energy band gap was measured to be 5.39 eV, and this crystal demonstrates a moderate second-harmonic generation response (0.8 × KDP). Fundamental building units are tetrahedron [SO 4 ] 2– groups in this structure. The theoretical calculations were performed to illustrate the relationship between electronic structure and associated NLO response. These findings demonstrate the potential of the LCSO crystal as an UV NLO material.

Topics & Concepts

UltravioletCrystal (programming language)Band gapCrystal structureSecond-harmonic generationTetrahedronNonlinear opticsNonlinear opticalEvaporationMaterials scienceOptical materialsOptoelectronicsChemistryOpticsCrystallographyNonlinear systemPhysicsLaserComputer scienceQuantum mechanicsThermodynamicsProgramming languageCrystal Structures and PropertiesNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography