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RESEARCH PAPER · Advanced Science · 2022

The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band Gaps

Shaoxin Cui, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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The Antiperovskite‐Type Oxychalcogenides Ae3Q[GeOQ3] (Ae = Ba, Sr; Q = S, Se) with Large Second Harmonic Generation Responses and Wide Band GapsOriginalOxychalcogenides: A Promising Class of Materials for Nonlinear Optical Crystals with Mixed‐Anion Groups35Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Heteroanion-introduction-driven birefringence enhancement in oxychalcogenide Ba 3 M II Ge 3 O 2 S 8 (M II = Mn, Cd)19The first polyanion-substitution-driven centrosymmetric-to-noncentrosymmetric structural transformation realizing an excellent nonlinear optical supramolecule [Cd 4 P 2 ][CdBr 4 ]17Recent advances in IR nonlinear optical chalcogenides with well-balanced comprehensive performance56A selenite containing unusual [Ga2F(Se2O5)4(HSeO3)2]5- clusters with the polarization ‘lighted’ by F− anions15[Ba4(S2)][ZnGa4S10]: Design of an Unprecedented Infrared Nonlinear Salt‐Inclusion Chalcogenide with Disulfide‐Bonds36Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit38Improved Birefringence Activated by Tetrahedra Decorated with a Single Linear Unit1Synthesis of Non-centrosymmetric, Metastable Rare-Earth Oxysulfides by Anionic Redox Topochemistry8Eu 2 MGe 2 OS 6 (M = Mn, Fe, Co): Three Melilite-Type Rare-Earth Oxythiogermanates Exhibiting Balanced Nonlinear-Optical Behaviors21Double alkaline earth metals sulfide SrMgGeS4 with high laser-induced damage threshold and strong second-harmonic generation29Breaking Through the Trade‐Off Between Wide Band Gap and Large SHG Coefficient in Mercury‐Based Chalcogenides for IR Nonlinear Optical Application49Ln 2 F 2 (OH 2 )(MoO 3 ) 2 (SeO 3 ) 2 : Promising Multifunctional Nonlinear Optical Materials Created by Partial Fluorination Strategy under Corrosion Resistant Supercritical Reactions25A I B 3 II C 2 III Q 6 VI X VII : A Thioborate Halide Family for Developing Wide Bandgap Infrared Nonlinear Materials by Coupling Planar [BS 3 ] and Polycations25AGe2O4Q (A = Ba, Sr; Q = S, Se): A series of heteroanionic oxychalcogenides with large birefringence9Na 2 CeF 6 : A Highly Laser Damage‐Tolerant Double Perovskite Type Ce(IV) Fluoride Exhibiting Strong Second‐Harmonic Generation Effect30Chiral and Polar Duality Design of Heteroanionic Compounds: Sr18Ge9O5S31 Based on [Sr3OGeS3]2+ and [Sr3SGeS3]2+ Groups20ACu4AsS4 (A = K, Rb): Two infrared nonlinear optical crystals with strong second-harmonic generation responses originating from multiple chromophores12Ba 2 GeF 2 Q 3 (Q = S, Se) and Ba 3 GeF 2 Se 4 : new F-based chalcohalides with enhanced birefringence9Chemical perspectives on heteroanionic compounds: a potential playground for multiferroics7Effectively designing infrared nonlinear optical materials with magnetism, MMn 6 Ga 6 S 16 (M = Ca, Sr, Ba, and Pb), aided by stable open frameworks13From NaGa(IO3)3F to NaGa(IO3)2F2 and NaGa(IO3)4: The Effects of Chemical Substitution between F– Anions and IO3– Groups on the Structures and Properties of Gallium Iodates13Rare-earth oxychalcogenide Eu 2 ZnGe 2 OS 6 : a phase-matching infrared nonlinear optical material with [GeOS 3 ] units7AX·(H2SeO3)n (A = K, Cs; X = Cl, Br; n = 1, 2): A Series of Ionic Cocrystals as Promising UV Birefringent Materials with Large Birefringence and Wide Band Gap20Polysulfide Anions [S x ] 2− ( x = 2, 3, 4, 5): Promising Functional Building Units for Infrared Nonlinear Optical Materials22Ba10In2Mn11Si3O12S18: First Hexanary Oxychalcogenide Containing an Infrequent Three-Dimensional Noncentrosysmmetric Framework8Pentanary Oxythiogermanates Ba3MGe3O2S8 (M = Ca, Zn) Featuring [Ge3O2S8]8– Trimers and {[MGe3O2S8]6–}∞ Chains: Structural Chemistry and Physical Properties4The first Hg-based oxychalcogenide Sr2HgGe2OS6: Achieving balanced IR nonlinear optical properties through synergistic cation and anion substitution28Sr2HgGe2OS6: A Hg-Based Oxychalcogenide Infrared Nonlinear Optical Material Exhibiting Favorable Balance between a Large Band Gap and Strong Second Harmonic Generation Response10The centrosymmetric to non-centrosymmetric transformation induced by alkaline-earth cations producing infrared nonlinear optical AeMn6Ga6S16 (Ae = Ca, Sr)13Unraveling the Deep‐Level Defects Induced Optical Losses in LilnSe2 Crystal toward Enhancement of Mid‐Infrared Laser Radiation13La3Ga5M0.5Sn0.5O14, (M = Ge, Si): Design and Synthesis of Two Langasite Nonlinear Optical Materials with Large Second Harmonic Generation and Birefringence Induced by Distorted (Sn/M)O6 Octahedra4Infrared radiation and thermophysical properties of small band gap Cu-doped SrZrO3 perovskite ceramic20Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response7Ae3[TO3][SnOQ3] (Ae = Sr, Ba; T = Si, Ge; Q = S, Se) and Ba3[CO3][MQ4] (M = Ge, Sn; Q = S, Se): Design and Syntheses of a Series of Heteroanionic Antiperovskite-Type Oxychalcogenides29Toward high performance all-solid-state lithium or sodium metal batteries: Potential application on Li/Na-rich antiperovskites (LiRAPs/NaRAPs) electrolyte for energy storage13Carbonatoperoxovanadates with Strong Second‐Harmonic Generation: Insights from First‐Principles Calculations on Anisotropic Structures and Optical Parameters0Pb2TeV2O10: A Lead Vanadate Tellurate with Wide Mid-IR Transparency and Large Birefringence Induced by Multiple Birefringence-Active Groups11ACuGa 6 S 10 (A = Rb, Cs): Design and Synthesis of Two New Cavity‐Chalcopyrite Chalcogenides Based on “Iterative Substitution” Strategy4Rare-Earth/d10 Dual-Metal Oxychalcogenides as Infrared Nonlinear-Optical Materials10Design of a High-Performance Near-Infrared Scintillator through Metal-Atom Substitution in Metal Chalcogenide5Balanced IR Nonlinear Optical Performance Achieved by Cation–Anion Module Cosubstitution in V-Based Salt-Inclusion Oxychalcogenides22Chiral Metal‐Free Anti‐Perovskite with Strong Chiroptical Nonlinearity13Chiral Metal‐Free Anti‐Perovskite with Strong Chiroptical Nonlinearity23Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides13La 3 (Ga 3 S 3 O 3 )(Si 2 O 7 ): An Oxychalcogenide Demonstrating Ultrawide Optical Bandgap and Favorable Birefringence Propelled by Divergent Anionic Groups6Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances17La 2 ZnGa 2 S 6 O: a melilite-type transition metal oxysulfide achieving a well-balanced nonlinear optical behavior5Phase transition engineering to break the symmetry of diamond-like chalcogenide for second-order nonlinear optics2Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio14Strong Second‐Harmonic Generation Responses in Salt‐Inclusion Oxychalcogenides Enabled by the Highly Distorted Polyhedra with Mixed‐Anions4Two-in-one: assembling hybrid supertetrahedra chromophores and achieving high-performance “hexagonal warriors” in nonlinear optical crystals6Zero-Dimensional Oxyselenide Ba12[(Ga2OSe5)3(Si2O7)]: Enhanced Optical Anisotropy through Heteroanionic Engineering4Theoretical Investigation of the Electronic Property Trends of Antiperovskites with A-site Tetrahedral Cluster Anion0Syntheses, Structures, and Characterization of Alkali-Metal Molybdates, A3Cl[Mo2O7] (A = K, Rb and Cs)3Oxygen vacancy-rich engineering-optimized molybdenum trioxide microbelts for room-temperature ppb-level trimethylamine detection25Unravelling the impact of octahedral distortion and non-covalent interactions on the hyperpolarizabilities of Co(II) and Ni(II) coordination complexes with uridine nucleotide11Assembly of Highly Polarizable “Linkers” with Heteroleptic Groups for Inducing Large Optical Anisotropy in Ba2SnIIGe3O8S and Ba3SnIIGe3O2S82BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6Ba 3 S[SnOS 3 ] and [Ba 2 Sn]S[Ge 2 O 7 ]: two antiperovskite oxychalcogenides with good IR nonlinear optical performances2Optimized seeded-Bridgman growth and characterization of LiGaS 2 crystals0Topology-Guided Discovery of BaIn 2 Si 7 P 12 : A Quaternary Diamond-like Framework Phosphide with Giant Second-Harmonic Generation and High Laser-Induced Damage Threshold22Polar Antiperovskite Oxides: Promising Mid-Infrared Nonlinear Optical Materials with Strong Second-Harmonic Generation2Exploration of the influence of exchange-correlation functionals and hydrostatic pressure on the physical properties of recently synthesized nonlinear optical material Na2CeF60Heterometallic Ge–O–Sn-Bridged Oxychalcogenides Sr3GeSnO4Q3 (Q = S, Se) with Wide Band Gaps and Moderate Infrared Nonlinear Optical Responses0Crystal structure and electronic structure of the quaternary oxysulfide Sr3Ge3OS80

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  48. Emergent Mid‐Infrared Nonlinear Optical Candidates With Targeted Balance Performances

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  49. La 2 ZnGa 2 S 6 O: a melilite-type transition metal oxysulfide achieving a well-balanced nonlinear optical behavior

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  50. Phase transition engineering to break the symmetry of diamond-like chalcogenide for second-order nonlinear optics

    Inorganic Chemistry Frontiers · 2025-01-01

    Chunlan Tang, Aoge Yao, Wenhao Xing, Wenwen Jiang, Jian Tang, Lei Kang, Jieyun Wu, Wenlong Yin, Bin Kang

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