Chemical substitution-oriented design of a new polar PbFIO3 achieving a balance between large second-harmonic generation response and wide band gap

被引：12
|
作者：
Xu, Yiyi [1 ]
Lin, Chensheng [1 ]
Zhao, Dan [2 ]
Li, Bingxuan [1 ]
Cao, Liling [1 ]
Ye, Ning [3 ]
Luo, Min [1 ]
机构：
[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, Key Lab Optoelect Mat Chem & Phys, Fuzhou 350002, Fujian, Peoples R China
[2] Henan Polytech Univ, Coll Chem & Chem Engn, Jiaozuo 454000, Henan, Peoples R China
[3] Tianjin Univ Technol, Inst Funct Crystal, Tianjin Key Lab Funct Crystal Mat, Tianjin 300384, Peoples R China
来源：
SCRIPTA MATERIALIA | 2022年 / 208卷
基金：
中国国家自然科学基金;
关键词：
Chemical substitution; Aurivillius-type structure; Large SHG response; Wide band gap; NONLINEAR-OPTICAL MATERIALS; RB; IODATE; FLUORIDE; CS; CRYSTALS; LAYER; OXIDE; NH4;
D O I：
10.1016/j.scriptamat.2021.114347
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
A new polar iodate fluoride, PbFIO3, was designed via multisite substitution by taking BiO(IO3) as a prototype. It crystalizes in the polar space group Iba2. Similar to BiO(IO3), it has an Aurivillius-type cationic [PbF](+) layer. As regarding IO3 polyhedron in PbFIO3, they inherit the beneficial arrangement of IO3 polyhedron in BiO(IO3), which result in the strong second-harmonic generation (SHG) response about 8 times that of KH2PO4 (KDP). In addition, benefiting from the introduction of strong electronegative F atoms replacing the O atoms of 2D (Bi2O2)(2+) layer, PbFIO3 exhibits a larger band gap about 3.87 eV compared to BiO(IO3) (3.3 eV). Besides strong SHG response and wide band gap, PbFIO3 possess a moderate birefringence of 0.06@546.1 nm as well. These superior linear and nonlinear optical (NLO) properties make PbFIO3 being a potential NLO crystal. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页数：5
相关论文
共 12 条
  • [1] Achieving a strong second harmonic generation response and a wide band gap in a Hg-based material
    Zhang, Yujie
    Wu, Hongping
    Hu, Zhanggui
    Wang, Jiyang
    Wu, Yicheng
    Yu, Hongwei
    INORGANIC CHEMISTRY FRONTIERS, 2022, 9 (16) : 4075 - 4080
  • [2] SbO(OH)2(IO3): The First Polar Sb5+-Iodate with a Strong Second-Harmonic Generation Response and a Wide Bandgap
    Ji, Meng-Ya
    Li, Yi-Lin
    Hu, Chun-Li
    Chen, Jin
    Li, Bing-Xuan
    Mao, Jiang-Gao
    SMALL, 2024, 20 (52)
  • [3] ZnGa2S4: an infrared nonlinear optical material with large second-harmonic generation response and wide band gap
    Zhang, Chen-Yang
    Niu, Xiao-Nan
    Wei, Yan-Feng
    Zhou, Shu-Xing
    Yang, Da-Qing
    Wang, Ying
    Wang, Jian
    Zhang, Bing-Bing
    RARE METALS, 2024, 43 (01) : 395 - 401
  • [4] A flexible functional module to regulate ultraviolet optical nonlinearity for achieving a balance between a second-harmonic generation response and birefringence
    Cao, Liling
    Tian, Haotian
    Lin, Donghong
    Lin, Chensheng
    Xu, Feng
    Han, Yinglei
    Yan, Tao
    Chen, Jindong
    Li, Bingxuan
    Ye, Ning
    Luo, Min
    CHEMICAL SCIENCE, 2022, 13 (23) : 6990 - 6997
  • [5] CsZrF4(IO3): The First Polar Zirconium Iodate with cis-[ZrO2F6] Polyhedra Inducing Optimized Balance of Large Band Gap and Second Harmonic Generation
    Lin, Lin
    Jiang, Xingxing
    Wu, Chao
    Lin, Zheshuai
    Huang, Zhipeng
    Humphrey, Mark G.
    Zhang, Chi
    CHEMISTRY OF MATERIALS, 2021, 33 (14) : 5555 - 5562
  • [6] ABi2(IO3)2F5 (A = K, Rb, and Cs): ACombination of Halide and Oxide Anionic Units To Create a Large Second-Harmonic Generation Response with a Wide Bandgap
    Liu, Hongming
    Wu, Qi
    Jiang, Xingxing
    Lin, Zheshuai
    Meng, Xianggao
    Chen, Xingguo
    Qin, Jingui
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2017, 56 (32) : 9492 - 9496
  • [7] Giant Second-Harmonic Generation Response and Large Band Gap in the Partially Fluorinated Mid-Infrared Oxide RbTeMo2O8F
    Hu, Yilei
    Wu, Chao
    Jiang, Xingxing
    Wang, Zujian
    Huang, Zhipeng
    Lin, Zheshuai
    Long, Xifa
    Humphrey, Mark G.
    Zhang, Chi
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2021, 143 (32) : 12455 - 12459
  • [8] LaAeAl3S7 (Ae = Ca, Sr): Cairo pentagonal layered thioaluminates achieving a good balance between a strong second harmonic generation response and a wide bandgap
    Xu, Jingjing
    Wu, Kui
    Zhang, Bingbing
    Yu, Haohai
    Zhang, Huaijin
    INORGANIC CHEMISTRY FRONTIERS, 2023, 10 (07) : 2045 - 2052
  • [9] Na2ZnGe2S6: A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold
    Li, Guangmao
    Wu, Kui
    Liu, Qiong
    Yang, Zhihua
    Pan, Shilie
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (23) : 7422 - 7428
  • [10] NaMoO3(IO3)(H2O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy
    Shui, Yi
    Liang, Zhengli
    Li, Zhenhua
    Wan, Jiahao
    Liu, Lehui
    Jiang, Xingxing
    Lin, Zheshuai
    Liu, Hongming
    DALTON TRANSACTIONS, 2024, 53 (03) : 1221 - 1229
12