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RESEARCH PAPER · Inorganic Chemistry · 2012

Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical Materials

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Synthesis, Structure, and Properties of Li2In2MQ6 (M = Si, Ge; Q = S, Se): A New Series of IR Nonlinear Optical MaterialsOriginalChemInform Abstract: Synthesis, Structure, and Properties of Li2In2MQ6 (M: Si, Ge; Q: S, Se): A New Series of IR Nonlinear Optical Materials.0Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe533K2FeGe3Se8: A New Antiferromagnetic Iron Selenide26Synthesis, structure, optical property, and electronic structure of Ba7AgGa5Se159Synthesis, Crystal Structure, Magnetic Property, and Electronic Structure of Ba2YbInSe56Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12219Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials680Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure106Noncentrosymmetric chalcohalide NaBa 4 Ge 3 S 10 Cl with large band gap and IR NLO response104Syntheses, structures, and optical properties of the indium/germanium selenides Cs4In8GeSe16, CsInSe2, and CsInGeSe431Li2CdGeS4, A Diamond-Like Semiconductor with Strong Second-Order Optical Nonlinearity in the Infrared and Exceptional Laser Damage Threshold193Three new chalcohalides, Ba4Ge2PbS8Br2, Ba4Ge2PbSe8Br2 and Ba4Ge2SnS8Br2: Syntheses, crystal structures, band gaps, and electronic structures4Ag 3 Ga 3 SiSe 8 : a new infrared nonlinear optical material with a chalcopyrite structure34Optical Nonlinearity in Cu2CdSnS4 and α/β-Cu2ZnSiS4: Diamond-like Semiconductors with High Laser-Damage Thresholds87Surfactant-Thermal Syntheses, Structures, and Magnetic Properties of Mn–Ge–Sulfides/Selenides45Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A2Sb2Sn3S10 (A=K, Rb, Cs)21Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge)94Designing the syntheses and photophysical simulations of noncentrosymmetric compounds17Ba 2 GeS 4 and Mg 2 SnS 4 : synthesis, structures, optical properties and electronic structures41BaGa 2 SnSe 6 : a new phase-matchable IR nonlinear optical material with strong second harmonic generation response58PbGa 4 S 7 : a wide-gap nonlinear optical material91SnGa 2 GeS 6 : synthesis, structure, linear and nonlinear optical properties46Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16–xSex41Phase-Change Behavior and Nonlinear Optical Second and Third Harmonic Generation of the One-Dimensional K(1–x)CsxPSe6 and Metastable β-CsPSe662Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)24Sn2SiS4, synthesis, structure, optical and electronic properties18Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis441BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties97K 2 Sn 2 ZnSe 6 , Na 2 Ge 2 ZnSe 6 , and Na 2 In 2 GeSe 6 : a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties32Synthesis and structure of novel Ag 2 Ga 2 SiSe 6 crystals: promising materials for dynamic holographic image recording16Syntheses, Structures, and Nonlinear Optical Properties of Two Sulfides Na2In2MS6 (M = Si, Ge)53The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)15Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides36Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds40First-principles studies of the Optical anisotropy of R3 space group chalcogenides crystal AX2MQ60Recent studies of nonlinear chalcogenide crystals for the mid-IR148Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag2Ga2SiS6 compound13Recent achievements on middle and far-infrared second-order nonlinear optical materials433Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity44Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 252Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds101Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Li3VO4: A Promising Mid-Infrared Nonlinear Optical Material with Large Laser Damage Threshold51Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4Ga5S12 (A=K, Rb, Cs) with 3D Diamond‐like Frameworks65Pb0.65Mn2.85Ga3S8 and Pb0.72Mn2.84Ga2.95Se8: Two Quaternary Metal Chalcognides with Open-Tunnel-Framework Structures Displaying Intense Second Harmonic Generation Responses and Interesting Magnetic Properties17New quaternary thallium indium germanium selenide TlInGe 2 Se 6 : Crystal and electronic structure20Ab Initio Investigation of the Structural, Electronic and Optical Properties of the Li2In2XY6 (X = Si, Ge; Y = S, Se) Compounds71Li2MnSnSe4: A New Quaternary Diamond‐Like Semiconductor with Nonlinear Optical Response and Antiferromagnetic Property16LiGaGe2S6: A Chalcogenide with Good Infrared Nonlinear Optical Performance and Low Melting Point56Electronic structure and laser induced piezoelectricity of a new quaternary compound TlInGe3S815Thallium indium germanium sulphide (TlInGe2S6) as efficient material for nonlinear optical application20Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 764Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Na 6 Zn 3 MIII2Q 9 (M III = Ga, In; Q = S, Se): four new supertetrahedron-layered chalcogenides with unprecedented vertex-sharing T 3 -clusters and desirable photoluminescence performances31NaBaM III Q 3 (M III = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MIII2Q 6 ) 6− dimers8New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold142Phase equilibria in Tl2Se–In2Se3–GeSe2 system at 520 K1Structural insights into T 2 -cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ 6 ligands: Na 3 ZnM III Q 4 (M III = In, Ga; Q = S, Se)13From AgGaS2 to Li2ZnSiS4: Realizing Impressive High Laser Damage Threshold Together with Large Second-Harmonic Generation Response134Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)63TlInGe2S6, A Prospective Nonlinear Optical Material: First-Principles DFT Calculations of the Electronic Structure and Optical Properties14Structure and Optical Properties of the Li2In2GeSe6 Crystal13Synthesis and Characterization of Ag2MnSnS4, a New Diamond‐like Semiconductor14First-principles DFT calculations of the electronic structure and optical properties of TlInGe2Se6, a prospective NLO material24Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S1625A review on structure-performance relationship toward the optimal design of infrared nonlinear optical materials with balanced performances253Recent progress on new infrared nonlinear optical materials with application prospect133ABaSbQ 3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ 3 ligands regulating the magnitudes of birefringences50Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response13BaV2O6·H2O: A nonlinear optical crystal with a large bandgap7Synthesis, Structure, and Characterization of Two Mixed-Cation Quaternary Chalcogenides K2BaSnQ4 (Q = S, Se)19LiBa2MIIIQ4 (MIII = Al, Ga, In; Q = S, Se): A Series of Metal Chalcogenides with a Structural Transition12Synthesis, crystal structure, and electronic structure of Ba2GeTe3(Te2)12Partial Congener Substitution Induced Centrosymmetric to Noncentrosymmetric Transformation Witnessed by K3Ga3(Ge7–xMx)Se20 (M = Si, Sn) and Their Nonlinear Optical Properties51New cation-disordered quaternary selenides Tl2Ga2 TtSe6 (Tt=Ge, Sn)6A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals48Rational design of infrared nonlinear optical chalcogenides by chemical substitution287A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties59Enhanced optical anisotropy via dimensional control in alkali-metal chalcogenides18High-throughput computational screening for solid-state Li-ion conductors141Non-centrosymmetric sulfides A 2 Ba 6 MnSn 4 S 16 (A = Li, Ag): syntheses, structures and properties21Salt-inclusion chalcogenides: an emerging class of IR nonlinear optical materials54Strong nonlinear optical effect attained by atom-response-theory aided design in the Na 2 M II MIV2Q 6 (M II = Zn, Cd; M IV = Ge, Sn; Q = S, Se) chalcogenide system27KInSi1.32Sn0.68Se6: An Infrared Nonlinear Optical Material Containing Three Types of Tetrahedral Units19Inherent laws between tetrahedral arrangement pattern and optical performance in tetrahedron-based mid-infrared nonlinear optical materials131Salt-Inclusion Chalcogenide [Ba4Cl2][ZnGa4S10]: Rational Design of an IR Nonlinear Optical Material with Superior Comprehensive Performance Derived from AgGaS2134Layered and Cubic Semiconductors AGaM′Q4 (A+ = K+, Rb+, Cs+, Tl+; M′4+ = Ge4+, Sn4+; Q2– = S2–, Se2–) and High Third-Harmonic Generation29Design and synthesis of Ba 3 SiSe 5 with suitable birefringence modulated via M IV atoms in the Ba–M IV –Q (M IV = Si, Ge; Q = S, Se) system3SrZnSnSe4: Synthesis, crystal structure and nonlinear optical properties14Introduction of Li into Ag-Based Noncentrosymmetric Sulfides for High-Performance Infrared Nonlinear Optical Materials40α-Ca2CdP2 and β-Ca2CdP2: Two Polymorphic Phosphide-Based Infrared Nonlinear Crystals with Distorted NLO-Active Tetrahedral Motifs Realizing Large Second Harmonic Generation Effects and Suitable Band Gaps30Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculations34Vast Structural and Polymorphic Varieties of Semiconductors AMM′Q4 (A = K, Rb, Cs, Tl; M = Ga, In; M′ = Ge, Sn; Q = S, Se)10Designing A New Infrared Nonlinear Optical Material, β‐BaGa 2 Se 4 Inspired by the Phase Transition of the BaB 2 O 4 (BBO) Crystal75Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal13Building-block approach to the discovery of Na8Mn2(Ge2Se6)2: A polar chalcogenide exhibiting promising harmonic generation signals with a high laser-induced damage threshold9Rational combination of multiple structural groups on regulating nonlinear optical property in hexagonal Ln3MGeS7 polar crystals10Achieving a strong second harmonic generation response and a wide band gap in a Hg-based material41Toward the Rational Design of Mid‐Infrared Nonlinear Optical Materials with Targeted Properties via a Multi‐Level Data‐Driven Approach111Impact of structure complexity on optoelectronic and non-linear optical properties in quaternary Ag(Pb)–Ga(In)–Si(Ge)–S(Se) systems13The Combination of Structure Prediction and Experiment for the Exploration of Alkali‐Earth Metal‐Contained Chalcopyrite‐Like IR Nonlinear Optical Material105Second-Harmonic Generation-Positive Na 2 Ga 2 SiS 6 with a Broad Band Gap and a High Laser Damage Threshold14New quaternary sulfide LiGaSiS4: Synthesis, structure and optical properties0A comprehensive review on metal chalcogenides with three-dimensional frameworks for infrared nonlinear optical applications115AInSn2S6 (A = K, Rb, Cs)─Layered Semiconductors Based on the SnS2 Structure6Ag-based chalcogenides and derivatives as promising infrared nonlinear optical materials90Recent Advances in Infrared Nonlinear Optical Crystal7[Sr 4 Cl 2 ][Si 3 S 9 ]: Ultrawide-bandgap salt-inclusion thiosilicate nonlinear optical material with unprecedented tri-polymerized [Si 3 S 9 ] clusters21Electronic band structure and optical properties of Li2In2GeSe6 crystal6Na3SiS3F: A Wide Bandgap Fluorothiosilicate with Unique [SiS3F] Unit and High Laser‐Induced Damage Threshold39Three‐in‐One Strategy Constructing the First High‐Performance Nonlinear Optical Sulfide Crystallizing with the P43 Space Group27Three-in-One Tetrahedral Functional Units Constructing Diamondlike Ag2In2SiS3.06Se2.94 with High-Performance Nonlinear-Optical Activity4BaCu2SiS4: A New Member of the AIIBI2MIVQ4 Chalcogenide Family with a Chiral Crystal Structure6Evolution of Structures and Optical Properties in a Series of Infrared Nonlinear Optical Crystals LixAg1–xInSe2 (0 ≤ x ≤ 1)12A new nonlinear optical crystal Li0.81Ag0.19InSe2 with balanced properties for efficient nonlinear conversion in the mid-IR region10Passivating Sn Zn Defect and Optimizing Energy Level Alignment via Organic Silicon Salt Incorporation toward Efficient Solution‐Processed CZTSSe Solar Cells46Advances in Solid-State Nonlinear Optical Materials: From Fundamentals to Applications61Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K 3 Ga 3 Si 7 S 20 and K 2 ZnSi 3 S 81First-principles study of electronic, optical, and thermoelectric properties of KMCuS 3 (M = Th and Sm) quaternary chalcogenides3High-throughput computational screening for solid-state Li-ion conductors116Multi-step cation substitution facilitating the exploration of potential infrared nonlinear optical materials6First-principles investigation of InAgASe4 (A = Ge, Sn) quaternary chalcogenides: Unveiling electronic, optical, and thermoelectric features10Unveiling the physical properties of RbCu3MSe4 (M = Si, Ge) direct band gap semiconductors: A systematic first-principles study5A new selenide semiconductor NaMn3Ga3Se8 with strong second-harmonic generation and significant luminescence property5[K2PbI][Ga7Se12]: A New Lead-Containing Nonlinear Optical Material with Moderate Second-Harmonic Generation Response and Large Birefringence5BaAl2MS6 (M = Si and Ge): the rational construction of diamond-like structures with ultrawide band gap by group-optimization approach6

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  1. ChemInform Abstract: Synthesis, Structure, and Properties of Li2In2MQ6 (M: Si, Ge; Q: S, Se): A New Series of IR Nonlinear Optical Materials.

    ChemInform · 2012-07-05

    Wenlong Yin, Kai Feng, Wenyu Hao, Jiyong Yao, Yicheng Wu

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  2. Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5

    Journal of Solid State Chemistry · 2012-10-01

    Wenyu Hao, Dajiang Mei, Wenlong Yin, Kai Feng, Jiyong Yao, Yicheng Wu

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  3. K2FeGe3Se8: A New Antiferromagnetic Iron Selenide

    Inorganic Chemistry · 2013-01-28

    Kai Feng, Wendong Wang, Ran He, Lei Kang, Wenlong Yin, Zheshuai Lin, Jiyong Yao, Youguo Shi, Yicheng Wu

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  4. Synthesis, structure, optical property, and electronic structure of Ba7AgGa5Se15

    Journal of Alloys and Compounds · 2013-03-14

    Wenlong Yin, Ran He, Kai Feng, Wenyu Hao, Jiyong Yao, Yicheng Wu

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  5. Synthesis, Crystal Structure, Magnetic Property, and Electronic Structure of Ba2YbInSe5

    Zeitschrift für anorganische und allgemeine Chemie · 2013-04-30

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  6. Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12

    Journal of the American Chemical Society · 2013-07-31

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  7. Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials

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  8. Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure

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  9. Noncentrosymmetric chalcohalide NaBa 4 Ge 3 S 10 Cl with large band gap and IR NLO response

    Journal of Materials Chemistry C · 2014-01-01

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  10. Syntheses, structures, and optical properties of the indium/germanium selenides Cs4In8GeSe16, CsInSe2, and CsInGeSe4

    Journal of Solid State Chemistry · 2014-01-28

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  11. Li2CdGeS4, A Diamond-Like Semiconductor with Strong Second-Order Optical Nonlinearity in the Infrared and Exceptional Laser Damage Threshold

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  12. Three new chalcohalides, Ba4Ge2PbS8Br2, Ba4Ge2PbSe8Br2 and Ba4Ge2SnS8Br2: Syntheses, crystal structures, band gaps, and electronic structures

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    Zuohong Lin, Kai Feng, Heng Tu, Lei Kang, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  13. Ag 3 Ga 3 SiSe 8 : a new infrared nonlinear optical material with a chalcopyrite structure

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  14. Optical Nonlinearity in Cu2CdSnS4 and α/β-Cu2ZnSiS4: Diamond-like Semiconductors with High Laser-Damage Thresholds

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  15. Surfactant-Thermal Syntheses, Structures, and Magnetic Properties of Mn–Ge–Sulfides/Selenides

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  16. Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A2Sb2Sn3S10 (A=K, Rb, Cs)

    Journal of Solid State Chemistry · 2014-10-24

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  17. Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge)

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  18. Designing the syntheses and photophysical simulations of noncentrosymmetric compounds

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  19. Ba 2 GeS 4 and Mg 2 SnS 4 : synthesis, structures, optical properties and electronic structures

    RSC Advances · 2015-01-01

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  20. BaGa 2 SnSe 6 : a new phase-matchable IR nonlinear optical material with strong second harmonic generation response

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  21. PbGa 4 S 7 : a wide-gap nonlinear optical material

    Journal of Materials Chemistry C · 2015-01-01

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  22. SnGa 2 GeS 6 : synthesis, structure, linear and nonlinear optical properties

    Dalton Transactions · 2015-01-01

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  23. Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16–xSex

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  24. Phase-Change Behavior and Nonlinear Optical Second and Third Harmonic Generation of the One-Dimensional K(1–x)CsxPSe6 and Metastable β-CsPSe6

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  25. Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)

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  26. Sn2SiS4, synthesis, structure, optical and electronic properties

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  27. Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis

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  28. BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties

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  29. K 2 Sn 2 ZnSe 6 , Na 2 Ge 2 ZnSe 6 , and Na 2 In 2 GeSe 6 : a new series of quaternary selenides with intriguing structural diversity and nonlinear optical properties

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  30. Synthesis and structure of novel Ag 2 Ga 2 SiSe 6 crystals: promising materials for dynamic holographic image recording

    RSC Advances · 2016-01-01

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  31. Syntheses, Structures, and Nonlinear Optical Properties of Two Sulfides Na2In2MS6 (M = Si, Ge)

    Inorganic Chemistry · 2016-02-04

    Shu‐Fang Li, Bin‐Wen Liu, Mingjian Zhang, Yuhang Fan, Hui‐Yi Zeng, Guo‐Cong Guo

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  32. The structure and band gap design of high Si doping level Ag1−xGa1−xSixSe2 (x=1/2)

    Journal of Solid State Chemistry · 2016-03-04

    Shiyan Zhang, Dajiang Mei, Xin Du, Zheshuai Lin, Junbo Zhong, Yuandong Wu, Jingli Xu

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  33. Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides

    Journal of Solid State Chemistry · 2016-03-14

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  34. Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds

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  35. First-principles studies of the Optical anisotropy of R3 space group chalcogenides crystal AX2MQ6

    arXiv (Cornell University) · 2016-09-27

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  36. Recent studies of nonlinear chalcogenide crystals for the mid-IR

    Semiconductor Science and Technology · 2016-10-26

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  37. Synthesis, structural, electronic and linear electro-optical features of new quaternary Ag2Ga2SiS6 compound

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  38. Recent achievements on middle and far-infrared second-order nonlinear optical materials

    Coordination Chemistry Reviews · 2016-12-27

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  39. Ba 6 Li 2 CdSn 4 S 16 : lithium substitution simultaneously enhances band gap and SHG intensity

    Journal of Materials Chemistry C · 2017-01-01

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  40. Tailored synthesis of nonlinear optical quaternary chalcohalides: Ba 4 Ge 3 S 9 Cl 2 , Ba 4 Si 3 Se 9 Cl 2 and Ba 4 Ge 3 Se 9 Cl 2

    Dalton Transactions · 2017-01-01

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  41. Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds

    Chemistry of Materials · 2017-01-30

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  42. Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship

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