Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2

Miriding Mutailipu; Fuming Li; Congcong Jin; Zhihua Yang; Kenneth R. Poeppelmeier; Shilie Pan

doi:10.1002/anie.202202096

Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO₃] Units in CaZn₂(BO₃)₂

Miriding Mutailipu, Fuming Li, Congcong Jin, Zhihua Yang, Kenneth R. Poeppelmeier^*, Shilie Pan^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

157 Scopus citations

Abstract

Discovery of new efficient nonlinear optical (NLO) materials with large second-order nonlinearity for the short-wave ultraviolet spectral region (λ_PM≤266 nm, PM=phase-matching) is still very challenging. Herein, a new beryllium-free borate CaZn₂(BO₃)₂ with Sr₂Be₂B₂O₇ (SBBO) double-layered like configuration was rationally designed, which not only preserves the structural merits but also eliminates the limitations of the SBBO crystal. CaZn₂(BO₃)₂ shows a large PM second harmonic generation (SHG) reponse of 3.8×KDP, which is 38 times higher than that of its barium analogue. This enhancement mainly originates from the ¹[Zn₂O₆]_∞ polar chains with a large net dipole moment and [BO₃] units with a high NLO active density. Our findings show the great significance of the [ZnO₄] tetrahedra introduced strategy to design beryllium-free SBBO-type NLO crystals and also verify the feasibility of using simple non-isomorphic substitution to induce giant second-order nonlinearity enhancement.

Original language	English (US)
Article number	e202202096
Journal	Angewandte Chemie - International Edition
Volume	61
Issue number	21
DOIs	https://doi.org/10.1002/anie.202202096
State	Published - May 16 2022

Funding

This work was financially supported the National Key R&D Program of China (2021YFA0717800), Young Elite Scientist Sponsorship Program by CAST (YESS20200068), National Natural Science Foundation of China (52002397, 61835014), the National Science Foundation (NSFDMR1904701), and the West Light Foundation of CAS (2020‐XBQNXZ‐002).

Keywords

Borates
Crystals
Functionalized Units
Nonlinear Optical Materials
Solid-State Chemistry

ASJC Scopus subject areas

General Chemistry
Catalysis

Access to Document

10.1002/anie.202202096

Cite this

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title = "Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2",

abstract = "Discovery of new efficient nonlinear optical (NLO) materials with large second-order nonlinearity for the short-wave ultraviolet spectral region (λPM≤266 nm, PM=phase-matching) is still very challenging. Herein, a new beryllium-free borate CaZn2(BO3)2 with Sr2Be2B2O7 (SBBO) double-layered like configuration was rationally designed, which not only preserves the structural merits but also eliminates the limitations of the SBBO crystal. CaZn2(BO3)2 shows a large PM second harmonic generation (SHG) reponse of 3.8×KDP, which is 38 times higher than that of its barium analogue. This enhancement mainly originates from the 1[Zn2O6]∞ polar chains with a large net dipole moment and [BO3] units with a high NLO active density. Our findings show the great significance of the [ZnO4] tetrahedra introduced strategy to design beryllium-free SBBO-type NLO crystals and also verify the feasibility of using simple non-isomorphic substitution to induce giant second-order nonlinearity enhancement.",

keywords = "Borates, Crystals, Functionalized Units, Nonlinear Optical Materials, Solid-State Chemistry",

author = "Miriding Mutailipu and Fuming Li and Congcong Jin and Zhihua Yang and Poeppelmeier, {Kenneth R.} and Shilie Pan",

note = "Funding Information: This work was financially supported the National Key R&D Program of China (2021YFA0717800), Young Elite Scientist Sponsorship Program by CAST (YESS20200068), National Natural Science Foundation of China (52002397, 61835014), the National Science Foundation (NSFDMR1904701), and the West Light Foundation of CAS (2020‐XBQNXZ‐002). Publisher Copyright: {\textcopyright} 2022 Wiley-VCH GmbH.",

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AU - Yang, Zhihua

AU - Poeppelmeier, Kenneth R.

AU - Pan, Shilie

N1 - Funding Information: This work was financially supported the National Key R&D Program of China (2021YFA0717800), Young Elite Scientist Sponsorship Program by CAST (YESS20200068), National Natural Science Foundation of China (52002397, 61835014), the National Science Foundation (NSFDMR1904701), and the West Light Foundation of CAS (2020‐XBQNXZ‐002). Publisher Copyright: © 2022 Wiley-VCH GmbH.

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N2 - Discovery of new efficient nonlinear optical (NLO) materials with large second-order nonlinearity for the short-wave ultraviolet spectral region (λPM≤266 nm, PM=phase-matching) is still very challenging. Herein, a new beryllium-free borate CaZn2(BO3)2 with Sr2Be2B2O7 (SBBO) double-layered like configuration was rationally designed, which not only preserves the structural merits but also eliminates the limitations of the SBBO crystal. CaZn2(BO3)2 shows a large PM second harmonic generation (SHG) reponse of 3.8×KDP, which is 38 times higher than that of its barium analogue. This enhancement mainly originates from the 1[Zn2O6]∞ polar chains with a large net dipole moment and [BO3] units with a high NLO active density. Our findings show the great significance of the [ZnO4] tetrahedra introduced strategy to design beryllium-free SBBO-type NLO crystals and also verify the feasibility of using simple non-isomorphic substitution to induce giant second-order nonlinearity enhancement.

AB - Discovery of new efficient nonlinear optical (NLO) materials with large second-order nonlinearity for the short-wave ultraviolet spectral region (λPM≤266 nm, PM=phase-matching) is still very challenging. Herein, a new beryllium-free borate CaZn2(BO3)2 with Sr2Be2B2O7 (SBBO) double-layered like configuration was rationally designed, which not only preserves the structural merits but also eliminates the limitations of the SBBO crystal. CaZn2(BO3)2 shows a large PM second harmonic generation (SHG) reponse of 3.8×KDP, which is 38 times higher than that of its barium analogue. This enhancement mainly originates from the 1[Zn2O6]∞ polar chains with a large net dipole moment and [BO3] units with a high NLO active density. Our findings show the great significance of the [ZnO4] tetrahedra introduced strategy to design beryllium-free SBBO-type NLO crystals and also verify the feasibility of using simple non-isomorphic substitution to induce giant second-order nonlinearity enhancement.

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KW - Solid-State Chemistry

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Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO₃] Units in CaZn₂(BO₃)₂

Abstract

Funding

Keywords

ASJC Scopus subject areas

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CSD 2118293: Experimental Crystal Structure Determination

Cite this

Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO3] Units in CaZn2(BO3)2

Abstract

Funding

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Datasets

CSD 2118293: Experimental Crystal Structure Determination

Cite this

Strong Nonlinearity Induced by Coaxial Alignment of Polar Chain and Dense [BO₃] Units in CaZn₂(BO₃)₂