Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching

Hou, Fengjuan; Mei, Dajiang; Xia, Mingjun; Wu, Yuandong

doi:10.1016/j.ccr.2021.214038

Cited by 23 publications

(10 citation statements)

References 97 publications

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“…Nonlinear optical (NLO) crystals enable the production of coherent lasers owing to their frequency conversion ability, serving as the core component of solidstate lasers in modern optical science and technology. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18] To date, notable infrared (IR) NLO crystalline materials include commercially available AgGaQ 2 (Q = S, Se), and ZnGeP 2 because of their large polarizability microstructures that can lead to remarkable second-harmonic generation (SHG) responses and superior optical transparency window in the IR range. [19][20][21] However, they suffer from inherent deficiencies, such as the relatively low laser-induced damage thresholds (LIDTs) of AgGaQ 2 or the unexpected multi-phonon absorption of ZnGeP 2 , hindering their wide application in high-power laser field.…”

Section: Introductionmentioning

confidence: 99%

[K₂PbX][Ga₇S₁₂] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

et al. 2023

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In contrast to anionic group theory of nonlinear optical (NLO) materials that second-harmonic generation (SHG) responses mainly originate from anionic groups, structural regulation on the cationic groups of salt-inclusion chalcogenides (SICs) is performed to make them also contribute to the NLO effects. Herein, the stereochemically active lone-electron-pair Pb 2+ cation is first introduced to the cationic groups of NLO SICs, and the resultant [K 2 PbX][Ga 7 S 12 ] (X = Cl, Br, I) are isolated via solid-state method. The features of their three-dimensional structures comprise highly oriented [Ga 7 S 12 ] 3− and [K 2 PbX] 3+ frameworks derived from AgGaS 2 , which display the largest phase-matching SHG intensities (2.5−2.7 × AgGaS 2 @1800 nm) among all SICs. Concurrently, three compounds manifest band gap values of 2.54, 2.49, and 2.41 eV (exceeding the criterion of 2.33 eV), which can avoid two-photon absorption under the fundamental laser of 1064 nm, along with the relatively low anisotropy of thermal expansion coefficients, leading to improved laser-induced damage thresholds (LIDTs) values of 2.3, 3.8, and 4.0 times that of AgGaS 2 . In addition, the density of states and SHG coefficient calculations demonstrate that the Pb 2+ cations narrow the band gaps and benefit SHG responses.

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Section: Introductionmentioning

confidence: 99%

[K₂PbX][Ga₇S₁₂] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

et al. 2023

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“…Hitherto, a good deal of works have focused on exploring and designing new non-centrosymmetric (NCS) chalcogenides with NLO-active motifs − in consideration of the inherent defects of the current commercial materials AgGaS 2 and AgGaSe 2 in the IR region. However, the NCS structure is only a key to open the door of IR-NLO materials, and the excellent NLO properties including robust second-harmonic generation (SHG) response, high laser-induced damage threshold (LIDT), wide IR transmission region, and phase matchability of the material are the hidden treasure that researchers are pursuing. − …”

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confidence: 99%

RbBiP₂S₆: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution

Chen

Zhou

Wei

et al. 2022

ACS Materials Lett.

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Non-centrosymmetric (NCS) Bi-based oxides with giant second-harmonic generation (SHG) responses have been widely studied as UV–visible nonlinear optical (NLO) materials over the past few decades. However, high-performance Bi-based NLO chalcogenides in the infrared (IR) region have rarely been reported. Herein, a novel NCS Bi-based thiophosphate RbBiP2S6 (P21) has been successfully designed by the aliovalent substitution of centrosymmetric Rb4P2S6 (P21/c). Notably, this compound affords a record-high SHG intensity (11.9 × AgGaS2 @ 2.05 μm) ever reported for IR-NLO sulfides. Moreover, detailed structure analysis and theoretical studies indicate that the superior IR-NLO performance can be attributed to the highly polarizable [BiS7] units together with the favorable alignment of ethane-like [P2S6] units. This discovery offers an excellent candidate for IR-NLO applications and suggests that aliovalent substitution is a promising way to search for unknown high-performance NLO materials.

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“…Therefore, the exploration of new NLO materials with improved performance, stability, and ease of synthesis has become a key challenge in field. In recent years, there has been a growing interest in the discovery and exploration of new NLO materials with noncentrosymmetric (NCS) structures. − NCS materials are of particular interest due to their ability to exhibit SHG, piezoelectricity, ferroelectricity, and pyroelectricity, which are not observed in centrosymmetric (CS) materials. However, the discovery of new NCS materials is a challenging task as their properties are highly dependent on their crystal structures and symmetries.…”

Section: Introductionmentioning

confidence: 99%

From Centrosymmetry to Noncentrosymmetry: Precise Structural Regulation and Characterization on ZnHPO₃·2H₂O Polymorphs

Wei,

Wang,

Zhang

et al. 2023

Inorg. Chem.

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Polymorphs of ZnHPO3·2H2O with centrosymmetry (Cmcm) and noncentrosymmetry (C2) structures were prepared by modified solution evaporation and seed-crystal-induced secondary nucleation methods. In Cmcm-ZnHPO3·2H2O, the zinc atoms are only octahedrally coordinated, while in C2-ZnHPO3·2H2O, they feature both tetrahedral and octahedral coordination. As a result, Cmcm-ZnHPO3·2H2O features a 2D layered structure with lattice water molecules located in the interlayer space, while C2-ZnHPO3·2H2O features a 3D electroneutral framework of tfa topology connected by Zn(1)O4, Zn(2)O6, and HPO3 units. The UV–visible diffuse reflectance spectra associated with Tauc’s analyses give a direct bandgap of 4.24 and 4.33 eV for Cmcm-ZnHPO3·2H2O and C2-ZnHPO3·2H2O, respectively. Moreover, C2-ZnHPO3·2H2O exhibits a weak second harmonic generation (SHG) response and a moderate birefringence for phase matching, indicating its potential as a nonlinear optical material. Detailed dipole moment calculation and analysis confirmed that the SHG response mainly derived from the HPO3 pseudo-tetrahedra.

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Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching

Cited by 23 publications

References 97 publications

[K₂PbX][Ga₇S₁₂] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

[K₂PbX][Ga₇S₁₂] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

RbBiP₂S₆: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution

From Centrosymmetry to Noncentrosymmetry: Precise Structural Regulation and Characterization on ZnHPO₃·2H₂O Polymorphs

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Structure-performance relationship in tri-coordinated nonlinear optical materials toward optimal second harmonic generation and phase matching

Cited by 23 publications

References 97 publications

[K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

[K2PbX][Ga7S12] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

RbBiP2S6: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution

From Centrosymmetry to Noncentrosymmetry: Precise Structural Regulation and Characterization on ZnHPO3·2H2O Polymorphs

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[K₂PbX][Ga₇S₁₂] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

[K₂PbX][Ga₇S₁₂] (X = Cl, Br, I): The First Lead‐Containing Cationic Moieties with Ultrahigh Second‐Harmonic Generation and Band Gaps Exceeding the Criterion of 2.33 eV

RbBiP₂S₆: A Promising IR Nonlinear Optical Material with a Giant Second-Harmonic Generation Response Designed by Aliovalent Substitution

From Centrosymmetry to Noncentrosymmetry: Precise Structural Regulation and Characterization on ZnHPO₃·2H₂O Polymorphs