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RESEARCH PAPER · Journal of Physics Condensed Matter · 2010

First-principles study of electronic structures and nonlinear optical properties of AMoO3(IO3) (A = Li, Rb and Cs) crystals

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First-principles study of electronic structures and nonlinear optical properties of AMoO3(IO3) (A = Li, Rb and Cs) crystalsOriginalβ-BaTeMo2O9 microcrystals as promising optically operated materials9Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response26Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O)59α-AgI3O8 and β-AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate Anion113Electronic structure of β-RbSm(MoO 4 ) 2 and chemical bonding in molybdates110LiMoO3(IO3), a novel molybdenyl iodate with strong second-order optical nonlinearity7Screening novel candidates for mid-IR nonlinear optical materials from I 3 –V–VI 4 compounds51Photocatalytic water-splitting solar-to-hydrogen energy conversion: Novel LiMoO 3 (IO 3 ) molybdenyl iodate based on WO 3 -type sheets11V-doping in a potential nonlinear optical material Sr2Nb2O7 for increasing the SHG response: A first-principles study2Centric-to-acentric structure transformation induced by a stereochemically active lone pair: a new insight for design of IR nonlinear optical materials90Titanium Iodates with a Second-Harmonic-Generation Response8Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation123Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation8

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  1. β-BaTeMo2O9 microcrystals as promising optically operated materials

    Journal of Materials Science · 2013-04-30

    A. Majchrowski, B. Sahraoui, A.O. Fedorchuk, Leszek Roman Jaroszewicz, E. Michalski, Anna Migalska-Zalas, Ivan V. Kityk

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  2. Contributions of Correlated Acentric Atomic Displacements to the Nonlinear Second Harmonic Generation and Response

    ACS Photonics · 2014-01-08

    Antonio Cammarata, James M. Rondinelli

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  3. Explorations of New Second-Order Nonlinear Optical Materials in the Ternary Rubidium Iodate System: Noncentrosymmetric β-RbIO3(HIO3)2 and Centrosymmetric Rb3(IO3)3(I2O5)(HIO3)4(H2O)

    Inorganic Chemistry · 2014-01-15

    Xiang Xu, Bing‐Ping Yang, Chao Huang, Jiang‐Gao Mao

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  4. α-AgI3O8 and β-AgI3O8 with Large SHG Responses: Polymerization of IO3 Groups into the I3O8 Polyiodate Anion

    Chemistry of Materials · 2014-04-25

    Xiang Xu, Chun‐Li Hu, Bingxuan Li, Bing‐Ping Yang, Jiang‐Gao Mao

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  5. Electronic structure of β-RbSm(MoO 4 ) 2 and chemical bonding in molybdates

    Dalton Transactions · 2014-11-19

    Victor V. Atuchin∥⊥, Aleksandr S. Aleksandrovsky, Чимитова Ольга Доржицыреновна, Cheng-Peng Diao, Tatiana A. Gavrilova, Valery G. Kesler, Мaxim S. Моlokeev, А. С. Крылов, Баир Гармаевич Базаров, Jibzema G. Bazarova, Zheshuai Lin

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  6. LiMoO3(IO3), a novel molybdenyl iodate with strong second-order optical nonlinearity

    Journal of Alloys and Compounds · 2015-11-18

    A.H. Reshak, S. Auluck

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  7. Screening novel candidates for mid-IR nonlinear optical materials from I 3 –V–VI 4 compounds

    Journal of Materials Chemistry C · 2017-01-01

    Zuju Ma, Jinyu Hu, Rongjian Sa, Qiaohong Li, Yongfan Zhang, Kechen Wu

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  8. Photocatalytic water-splitting solar-to-hydrogen energy conversion: Novel LiMoO 3 (IO 3 ) molybdenyl iodate based on WO 3 -type sheets

    Journal of Catalysis · 2017-05-03

    A.H. Reshak, S. Auluck

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  9. V-doping in a potential nonlinear optical material Sr2Nb2O7 for increasing the SHG response: A first-principles study

    Chemical Physics Letters · 2018-08-06

    Huijuan Jing, Yuman Peng, Zuju Ma, Jun Li, Chao He, Kechen Wu

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  10. Centric-to-acentric structure transformation induced by a stereochemically active lone pair: a new insight for design of IR nonlinear optical materials

    Journal of Materials Chemistry C · 2019-01-01

    Hua Lin, Yanyan Li, Mengyue Li, Zuju Ma, Li‐Ming Wu, Xintao Wu, Qi‐Long Zhu

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  11. Titanium Iodates with a Second-Harmonic-Generation Response

    Inorganic Chemistry · 2021-03-29

    Yuan‐Bin Fang, Ruibiao Fu, Hong‐Xin Tang, Qirui Shui, Zuju Ma, Xintao Wu

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  12. Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation

    Angewandte Chemie International Edition · 2022-08-31

    Yang Liu, Ya-Ping Gong, Shining Geng, Mei‐Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei‐Xiong Zhang, Lingling Mao

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  13. Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation

    Angewandte Chemie · 2022-08-31

    Yang Liu, Ya-Ping Gong, Shining Geng, Mei‐Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei‐Xiong Zhang, Lingling Mao

    Read original paper ↗ ·