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Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates

  • Bingbing Zhang
    Bingbing Zhang
    CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
  • Guopeng Han
    Guopeng Han
    CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
    University of Chinese Academy of Sciences, Beijing 100049, China
    More by Guopeng Han
  • Ying Wang
    Ying Wang
    CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
    More by Ying Wang
  • Xinglong Chen
    Xinglong Chen
    CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
    University of Chinese Academy of Sciences, Beijing 100049, China
  • Zhihua Yang*
    Zhihua Yang
    CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
    *E-mail: [email protected]
    More by Zhihua Yang
  • , and 
  • Shilie Pan*
    Shilie Pan
    CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics & Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi 830011, China
    *E-mail: [email protected]
    More by Shilie Pan
Cite this: Chem. Mater. 2018, 30, 15, 5397–5403
Publication Date (Web):July 17, 2018
https://doi.org/10.1021/acs.chemmater.8b02223
Copyright © 2018 American Chemical Society
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Supporting Info (2)»

Abstract

Abstract Image

If a bucket is to hold more water, its shortest plank must be made longer. This guideline also applies to the exploration of ultraviolet (UV) and deep-UV (DUV) nonlinear optical (NLO) materials that are limited by multiple criteria. Phosphates are one kind of promising candidate for new NLO materials. Unfortunately, the small birefringence, as the shortest plank, severely restricts the phase-matching of second harmonic generation (SHG) in the UV/DUV region. In this work, fluorophosphates are rationally proposed as substitutes for phosphates to break down the limitation of birefringence and simultaneously enhance SHG response and retain wide UV transmittance. The (PO3F)2– and (PO2F2) groups are confirmed as superior material genomes to achieve the discussed combination properties. Accordingly, (NH4)2PO3F was screened out by density functional theory calculation, and single crystals with centimeter size have been grown. It possesses a powder SHG efficiency of 1 × KH2PO4 (KDP) and is phase-matchable with output of SHG wavelength at 266 nm. To the best of our knowledge, it is the first time that fluorophosphates are identified and developed as new and ideal candidates to new UV/DUV NLO materials by combining theories and experiments.

Supporting Information

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The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.chemmater.8b02223.

  • Photographs of the as-grown single crystals of (NH4)2PO3F; X-ray diffraction (XRD) patterns, thermal gravimetric (TG) analysis, and differential scanning calorimetry (DSC), energy-dispersive X-ray spectroscopy (EDX), IR spectrum, and SHG density of (NH4)2PO3 (PDF)

  • Crystal data and structure refinement for (NH4)2PO3F (CIF)

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