Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response

Peng, Guang; Lin, Chensheng; Fan, Huixin; Chen, Kaichuang; Li, Bingxuan; Zhang, Ge; Ye, Ning

doi:10.1002/ange.202105777

Cited by 12 publications

(4 citation statements)

References 55 publications

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“…As is widely recognized, possessing a noncentrosymmetric (NCS) structure is an essential requirement for a material to exhibit nonlinear optical properties , However, statistical analysis of the Inorganic Crystal Structure Database (ICSD) reveals that inorganic oxides tend to crystallize in centrosymmetric (CS) space groups, with only about one-fifth of them crystallizing in NCS space groups . Hence, it becomes necessary to employ appropriate strategies to obtain NCS crystals.…”

Section: Introductionmentioning

confidence: 99%

Centrosymmetric Rb₂Sb(C₂O₄)_2.5(H₂O)₃ and Noncentrosymmetric RbSb₂(C₂O₄)F₅: Two Antimony (III) Oxalates as UV Optical Materials

Wang

et al. 2023

Inorg. Chem.

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Herein, we have successfully synthesized two rubidium antimony (III) oxalates, namely, Rb 2 Sb(C 2 O 4 ) 2.5 (H 2 O) 3 and RbSb 2 (C 2 O 4 )F 5 , utilizing a low-temperature hydrothermal method. These two compounds share a similar chemical composition, consisting of Sb 3+ cations with active lone pair electrons, alkali metal Rb + ions, and planar π-conjugated C 2 O 4 2− anions. However, they exhibit different symmetries, Rb 2 Sb(C 2 O 4 ) 2.5 (H 2 O) 3 is centrosymmetric (CS), while RbSb 2 (C 2 O 4 )F 5 is noncentrosymmetric (NCS), which should be caused by the presence of F − ions. Notably, the NCS compound, RbSb 2 (C 2 O 4 )F 5 , demonstrates a moderate second-harmonic generation (SHG) response, approximately 1.3 times that of KH 2 PO 4 (KDP), and exhibits a large birefringence of 0.09 at 546 nm. These characteristics indicate that RbSb 2 (C 2 O 4 )F 5 holds promising potential as a nonlinear optical material for ultraviolet (UV) applications. Detailed structural analysis and theoretical calculations confirm that the excellent optical properties arise from the synergistic effects between Sb 3+ cations with SCALP and planar π-conjugated [C 2 O 4 ] 2− groups.

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Section: Introductionmentioning

confidence: 99%

Centrosymmetric Rb₂Sb(C₂O₄)_2.5(H₂O)₃ and Noncentrosymmetric RbSb₂(C₂O₄)F₅: Two Antimony (III) Oxalates as UV Optical Materials

Wang

et al. 2023

Inorg. Chem.

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“…In the past few decades, π-conjugated plane triangle anionic groups (such as BO 3 , − CO 3 , − and NO 3 − ), containing higher microscopic second-order polarizability and anisotropy, are considered to be excellent functional units for designing new UV NLO materials. However, the non-π-conjugated groups, including PO 4 − and SO 4 , − were largely overlooked.…”

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confidence: 99%

Two Mixed-Alkali-Metal Selenates as Short-Wave Ultraviolet Nonlinear-Optical Materials

et al. 2023

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Two novel mixed-alkali-metal selenate nonlinear-optical (NLO) crystals, Na 3 Li(H 2 O) 3 (SeO 4 ) 2 •3H 2 O (I) and CsLi 3 (H 2 O)(SeO 4 ) 2 (II), have been successfully synthesized by an aqueous solution evaporation method. Both compounds feature the unique layers constructed of the same functional moieties including SeO 4 and LiO 4− layers in II. The titled compounds display wide optical band gaps of 5.62 and 5.66 eV, respectively, according to the UV−vis spectra. Interestingly, they exhibit significantly different second-order nonlinear coefficients (0.34 × KDP and 0.70 × KDP, respectively). Detailed dipole moment calculations manifest that the large disparity can be attributed to the difference in the dipole moment of the crystallographically independent SeO 4 and LiO 4 groups. This work confirms that alkalimetal selenate system is an excellent candidate for short-wave ultraviolet NLO materials.

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“…The ideal NLO crystal material should have reasonable NLO coefficients and sufficiently large LDTs. − Materials with larger LDTs can withstand more significant laser damage, making them more suitable for practical applications. In general, the LDT effect of materials is highly dependent on their band gap, and a large band gap is beneficial to avoiding double-light absorption as well as to improving the LDT of materials. − Furthermore, the defect-free crystal could be further destroyed by electron excitation to the conduction band and possibly ruined by multiphoton absorption.…”

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confidence: 99%

Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe₄ to SrZnSiSe₄

Dang

et al. 2023

Inorg. Chem.

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Improving the laser damage threshold (LDT) of mid-infrared nonlinear-optical (MIR NLO) crystal materials is crucial for their applications in areas such as environmental monitoring and pharmaceutical detection. This paper presents the successful synthesis of SrZnSiSe 4 , a new MIR NLO crystal material that balances the LDT and second-harmonic-generation (SHG) effects and achieves phase matching. By replacement of Sn with Si in the existing SrZnSnSe 4 material, the band gap of the material was increased, resulting in an LDT that is twice that of SrZnSnSe 4 , while maintaining the 2 × AgGaS 2 effect. The SHG and band gap of SrZnSiSe 4 derived from the experiments are 2 × AgGaS 2 and 1.95 eV. The band gap of SrZnSiSe 4 is better than that of SrZnSnSe 4 (1.82 eV), and the LDT of SrZnSiSe 4 is about twice that of SrZnSnSe 4 . Moreover, first-nature principal calculations confirm that SrZnSiSe 4 can achieve phase matching after 1520 nm with a birefringence of 0.10, making it an excellent candidate for MIR NLO crystals.

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Be₂(BO₃)(IO₃): The First Anion‐mixed Van der Waals Member in the KBe₂BO₃F₂ Family with a Very Strong Second Harmonic Generation Response

Cited by 12 publications

References 55 publications

Centrosymmetric Rb₂Sb(C₂O₄)_2.5(H₂O)₃ and Noncentrosymmetric RbSb₂(C₂O₄)F₅: Two Antimony (III) Oxalates as UV Optical Materials

Centrosymmetric Rb₂Sb(C₂O₄)_2.5(H₂O)₃ and Noncentrosymmetric RbSb₂(C₂O₄)F₅: Two Antimony (III) Oxalates as UV Optical Materials

Two Mixed-Alkali-Metal Selenates as Short-Wave Ultraviolet Nonlinear-Optical Materials

Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe₄ to SrZnSiSe₄

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Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response

Cited by 12 publications

References 55 publications

Centrosymmetric Rb2Sb(C2O4)2.5(H2O)3 and Noncentrosymmetric RbSb2(C2O4)F5: Two Antimony (III) Oxalates as UV Optical Materials

Centrosymmetric Rb2Sb(C2O4)2.5(H2O)3 and Noncentrosymmetric RbSb2(C2O4)F5: Two Antimony (III) Oxalates as UV Optical Materials

Two Mixed-Alkali-Metal Selenates as Short-Wave Ultraviolet Nonlinear-Optical Materials

Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe4 to SrZnSiSe4

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Be₂(BO₃)(IO₃): The First Anion‐mixed Van der Waals Member in the KBe₂BO₃F₂ Family with a Very Strong Second Harmonic Generation Response

Centrosymmetric Rb₂Sb(C₂O₄)_2.5(H₂O)₃ and Noncentrosymmetric RbSb₂(C₂O₄)F₅: Two Antimony (III) Oxalates as UV Optical Materials

Centrosymmetric Rb₂Sb(C₂O₄)_2.5(H₂O)₃ and Noncentrosymmetric RbSb₂(C₂O₄)F₅: Two Antimony (III) Oxalates as UV Optical Materials

Optimal Design of Mid-Infrared Nonlinear-Optical Crystals: From SrZnSnSe₄ to SrZnSiSe₄