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RESEARCH PAPER · Journal of Materials Chemistry C · 2020

From AgGaS 2 to AgHgPS 4 : vacancy defects and highly distorted HgS 4 tetrahedra double-induced remarkable second-harmonic generation response

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From AgGaS 2 to AgHgPS 4 : vacancy defects and highly distorted HgS 4 tetrahedra double-induced remarkable second-harmonic generation responseOriginalStructural Modulation from Cu 3 PS 4 to Cu 5 Zn 0.5 P 2 S 8 : Single-Site Aliovalent-Substitution-Driven Second-Harmonic-Generation Enhancement28AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−58Highly Distorted [HgS 4 ] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg 3 P 2 S 847Hg 3 P 2 S 8 : A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold111Transition-metal-based chalcogenides: A rich source of infrared nonlinear optical materials184Investigation into Structural Variation from 3D to 1D and Strong Second Harmonic Generation of the AHgPS4 (A+ = Na+, K+, Rb+, Cs+) Family26Diffraction of helical x-rays by optically active achiral crystals1Hg-based chalcogenides: An intriguing class of infrared nonlinear optical materials129Structural modification from centrosymmetric Rb 4 Hg 2 Ge 2 S 8 to noncentrosymmetric (Na 3 Rb)Hg 2 Ge 2 S 8 : mixed alkali metals strategy for infrared nonlinear optical material design28Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr 3 Ge 2 O 4 Te 318Hg 2 (SeO 3 )(SO 4 ): the first sulfate selenite with large birefringence explored from d 10 transition metal compounds36Two Nonlinear Optical Thiophosphates Cu 5 Hg 0.5 P 2 S 8 and AgHg 3 PS 6 Activated by Their Tetrahedra-Stacking Architecture12Infrared nonlinear optical performances of a new sulfide β-PbGa2S415Explorations of New SHG Materials in Mercury Iodate Sulfate System**9SrAgAsS4: A Noncentrosymmetric Sulfide with Good Infrared Nonlinear Optical Performance Induced by Aliovalent Substitution from Centrosymmetric SrGa2S412Hg2P2S6: A layered mercury hexathiodiphosphate (IV) with large birefringence11(Na0.74Ag1.26)BaSnS4: A New AgGaS2‐Type Nonlinear Optical Sulfide with a Wide Band Gap and High Laser Induced Damage Threshold14Ba 3 HgGa 2 S 7 : A Zero-Dimensional Quaternary Sulfide Featuring a Unique [Hg 2 Ga 4 S 14 ] 12– String and Exhibiting a High Photocurrent Response27A review of structures and physical properties of rare earth chalcophosphates78Ag[SC(NH2)2]2F: A Laser Damage-Tolerant Infrared Nonlinear Optical Material9LiAlS2: A promising infrared frequency-conversion material with ultrawide band gap and high laser-induced damage threshold19Ag-based chalcogenides and derivatives as promising infrared nonlinear optical materials90Na 6 Sn 3 P 4 S 16 : Sn( ii )-chelated PS 4 groups inspired an ultra-strong SHG response22Quaternary alkaline-earth metal thiophosphate SrAgPS 4 : syntheses, structures, and optical properties9Recent progress on sulfide infrared nonlinear optical materials with large SHG response and wide band gap26Revisiting two thiophosphate compounds constituting d 0 transition metal HfP 2 S 6 and d 10 transition metal α-Ag 4 P 2 S 6 as multifunctional materials for combining second harmonic generation response and photocurrent response12Phase Competition and Strong SHG Responses of the Li2MIIMIVSe4 Family: Atom Response Theory Predictions versus Experimental Results24Chain‐like [S x ] ( x =2–6) Units Realizing Giant Birefringence with Transparency in the Near‐Infrared for Optoelectronic Materials53Chain‐like [S x ] ( x =2–6) Units Realizing Giant Birefringence with Transparency in the Near‐Infrared for Optoelectronic Materials5The induced polarization enhanced birefringence in AlPS4 family: A first-principles investigation6Defect diamond-like tellurides as infrared nonlinear optical materials with giant second-harmonic generation tensor14Zn 2 HgP 2 S 8 : A Wide Bandgap Hg‐Based Infrared Nonlinear Optical Material with Large Second‐Harmonic Generation Response75Wide band gaps in nonlinear optical materials AMgAgGa6S11 (A = K, Rb) achieved by the incorporation of dual s-block elements in Ag-based sulfide11AEAg7(PS4)3 (AE = Ba, Sr): The homovalent substitution of lead by alkaline earth metals achieves the separation of the two phases and enlarges the band gap1ACd 4 Ga 5 Te 12 (A = K, Rb, Cs): Tellurides with a Strong Nonlinear Optical Response and Purple Emission24AgMAsS3 (M = Cd, Hg): Double d10 Cation-Containing Thioarsenites(III) Exhibiting High Photocurrent Response and Moderate Second Harmonic Generation11Breaking Through the Trade‐Off Between Wide Band Gap and Large SHG Coefficient in Mercury‐Based Chalcogenides for IR Nonlinear Optical Application49ACu4AsS4 (A = K, Rb): Two infrared nonlinear optical crystals with strong second-harmonic generation responses originating from multiple chromophores12Chemical modulation of A I RE III C IV QVI4 family compounds for band gap and optical anisotropy enhancement16Greatly enhanced optical anisotropy in thiophosphates inspired by rational coupling of tetrahedra and ethane-like [P 2 S 6 ] 4− groups7Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence10Hg3Se(SeO3)(SO4): A Mixed-Valent Selenium Compound with Mid-Infrared Transmittance Obtained by In Situ Reaction26Optical second harmonic generation in anisotropic multilayers with complete multireflection of linear and nonlinear waves using ♯SHAARP.ml package12Infrared nonlinear optical materials with multiple strongly ionic cations5Vacancy‐Induced Extraordinary Second Harmonic Generation Response for Diamond‐Like Cu3PS49Ag 2 GeS 3 : A Diamond‐Like Chalcogenide as an IR Nonlinear Optical Material with Outstanding Second‐Harmonic Generation Response28(C5H12N2S)Hg(NO3)2: A Mercury Nitrate Nonlinear Optical Crystal Motivated by Heteroatom Coordination Strategy9A Congruent-Melt Infrared Nonlinear Optical Crystal Na4SrAs2S83K2HgGe3Se8: A Quaternary Hg-Based Selenide with Nonlinear Optical Properties6Phase-Matching Second-Harmonic Generation and Enhanced Laser-Induced Damage Threshold Induced by Cs Substitution: Cu 3 PSe 4 vs Cs 2 CuP 3 S 94Design of High‐Performance Infrared Nonlinear Optical PAs 3 S 3 with Perfectly Aligned Polar Molecular Cage via a Bipolar‐Axis‐Symmetry Coupling Strategy16Design of High‐Performance Infrared Nonlinear Optical PAs 3 S 3 with Perfectly Aligned Polar Molecular Cage via a Bipolar‐Axis‐Symmetry Coupling Strategy8Alkali metal/mercury dual-metal sulfides as infrared nonlinear optical materials with high laser-induced damage thresholds5Partial congener substitution induced wide band gap witnessed in diamond-like chalcogenide ZnHg 2 P 2 S 8 and its second-order nonlinear optical properties3AgGaS2 and Derivatives: Design, Synthesis, and Optical Properties10Structural-disorder-induced enhancement of second-harmonic generation in bismuth-based perovskite-inspired materials7From Orthorhombic Cu8GeS6 to Cubic Cu6HgGeS6: Second-Harmonic Generation and Photocurrent Responses7Vacancy-driven tetrahedral distortion leading to exceptional second harmonic generation3Ba-based IR nonlinear optical materials: synthesis, growth, structures, and properties6ABCQ4型硫属化物红外非线性光学材料的构效关系(特邀)0Diamond-like Ag x Cu 3− x PS 4 ( x = 1 and 2) synthesized by the metal oxide–boron–chalcogen (MOBQ) routine: local high-entropy engineering for balanced infrared nonlinear optical performance1Zn 0.7 Hg 0.3 Ga 2 Se 4 : a defect diamond-like selenide with a balanced band gap and nonlinear optical response0Harnessing tetrahedral diversity: The path to superior diamond-like IR NLO crystals15Electronic Structure and Elastic Properties of Polymorphic Phases of Lithium Oxothallate (LiTlO2)0Achieving phase matching in infrared nonlinear optical crystal Cd3ZnSiS6 via isovalent substitution from Cd4SiS60Defect Diamond‐Like d 10 Metal Indium Selenium With Strong Second‐Harmonic Generation and Enhanced Laser‐Induced Damage Threshold3First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80Vacancy-Driven Tetrahedral Distortion in Defect Diamond-Like Selenides for Exceptional Second-Order Nonlinearity0

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  2. AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−

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  4. Hg 3 P 2 S 8 : A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold

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  6. Investigation into Structural Variation from 3D to 1D and Strong Second Harmonic Generation of the AHgPS4 (A+ = Na+, K+, Rb+, Cs+) Family

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  7. Diffraction of helical x-rays by optically active achiral crystals

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  8. Hg-based chalcogenides: An intriguing class of infrared nonlinear optical materials

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  12. Two Nonlinear Optical Thiophosphates Cu 5 Hg 0.5 P 2 S 8 and AgHg 3 PS 6 Activated by Their Tetrahedra-Stacking Architecture

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  16. Hg2P2S6: A layered mercury hexathiodiphosphate (IV) with large birefringence

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  17. (Na0.74Ag1.26)BaSnS4: A New AgGaS2‐Type Nonlinear Optical Sulfide with a Wide Band Gap and High Laser Induced Damage Threshold

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  18. Ba 3 HgGa 2 S 7 : A Zero-Dimensional Quaternary Sulfide Featuring a Unique [Hg 2 Ga 4 S 14 ] 12– String and Exhibiting a High Photocurrent Response

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  19. A review of structures and physical properties of rare earth chalcophosphates

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  20. Ag[SC(NH2)2]2F: A Laser Damage-Tolerant Infrared Nonlinear Optical Material

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  21. LiAlS2: A promising infrared frequency-conversion material with ultrawide band gap and high laser-induced damage threshold

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  23. Na 6 Sn 3 P 4 S 16 : Sn( ii )-chelated PS 4 groups inspired an ultra-strong SHG response

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