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RESEARCH PAPER · Inorganic Chemistry · 2009

Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li 2 CdGeS 4 and Li 2 CdSnS 4

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Second-Harmonic Generation and Crystal Structure of the Diamond-like Semiconductors Li 2 CdGeS 4 and Li 2 CdSnS 4OriginalChemInform Abstract: Second‐Harmonic Generation and Crystal Structure of the Diamond‐Like Semiconductors Li2CdGeS4 and Li2CdSnS4.1Syntheses, Crystal and Electronic Structures, and Physical Properties of Quaternary Semiconductors: Ln2Mn3Sb4S12(Ln = Pr, Nd, Sm, Gd)79Temperature-dependent study of the band-edge excitonic transitions of Cu2ZnSiS4 single crystals by polarization-dependent piezoreflectance13Near band edge anisotropic optical transitions in wide band gap semiconductor Cu2ZnSiS422Absorption-edge anisotropy of Cu2ZnSiQ4 (Q = S, Se) quaternary compound semiconductors20Cu2ZnSiS417Polarization-dependent electrolyte electroreflectance study of Cu2ZnSiS4 and Cu2ZnSiSe4 single crystals45Electronic, optical and lattice dynamic properties of the novel diamond-like semiconductors Li 2 CdGeS 4 and Li 2 CdSnS 433Interrelationship “composition - structure - property” for Cu- and Ge-bearing sulfides0Anisotropy of the spectroscopy properties of the wurtz-stannite Cu2ZnGeS4 single crystals37Tl2Hg3Q4 (Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors54Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La 2 Ga 2 GeS 8 and Eu 2 Ga 2 GeS 7 and Nonlinear-Optical Responses in Middle Infrared80The crystal and electronic band structure of the diamond-like semiconductor Ag2ZnSiS452Cationic quaternary chalcohalide nanobelts: Hg4In2Q3Cl8 (Q = S, Se, Te)12Large Crystal Growth and New Crystal Exploration of Mid-Infrared Second-Order Nonlinear Optical Materials56Cation ordering and physicochemical characterization of the quaternary diamond-like semiconductor Ag2CdGeS451Photoluminescence and Raman scattering characterization of Cu2ZnSiQ4 (Q=S, Se) single crystals29Optical and photoconductivity spectra of novel Ag2In2SiS6 and Ag2In2GeS6 chalcogenide crystals25First-principles studies on linear and nonlinear optical effects in Ln4GaSbS9 (Ln=Ce–Nd, Sm, Gd–Tm, Lu)9Crystal Growth and Characterization of the X-ray and γ-ray Detector Material Cs2Hg6S746Understanding Fluxes as Media for Directed Synthesis: In Situ Local Structure of Molten Potassium Polysulfides57Photovoltaic, photoelectric and optical spectra of novel AgxGaxGe1−xSe2 (0.167 ≤ x ≤ 0.333) quaternary single crystals20Quaternary Tellurides with Different Valent Ge Centers: Cs2Ge3M6Te14 (M = Ga, In)9Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S830Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12 (A = K, Rb, Cs)172Temperature operated infrared nonlinear optical materials based on Tl4HgI629X-ray photoelectron spectrum, X-ray diffraction data, and electronic structure of chalcogenide quaternary sulfide Ag2In2GeS6: experiment and theory21Synchrotron X‐ray Powder Diffraction and Electronic Band Structure of α‐ and β‐Cu2ZnSiS421First Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Li2CdGeS43Influence of Replacing Si by Ge in the Chalcogenide Quaternary Sulfides Ag2In2Si(Ge)S6 on the Chemical Bonding, Linear and Nonlinear Optical Susceptibilities, and Hyperpolarizability38Effect of cation ordering on the electronic and lattice dynamic properties of Ag2CdGeS4 polytypes: First-principle calculation6Ba2Sb4GeS1012Heterometallic Clusters [CuSn3S9]5− and [Cu6Sn6S20]10−: Solvothermal Synthesis and Characterization of 4f–3d Thiostannates26New Metal Chalcogenides Ba4CuGa5Q12 (Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response118The impact of three new quaternary sulfides on the current predictive tools for structure and composition of diamond-like materials38Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2–II–IV–VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se)48Energy spectrum of near-edge holes and conduction mechanisms in Cu2ZnSiSe4 single crystals24Large Mid-IR Second-Order Nonlinear-Optical Effects Designed by the Supramolecular Assembly of Different Bond Types without IR Absorption33Theoretical investigations on the elastic, electronic and thermal properties of orthorhombic Li2CdGeS4 under pressure18Sphalerite Framework in Polar Sulfides8Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials680Synthesis, structure, physicochemical characterization and electronic structure of thio-lithium super ionic conductors, Li4GeS4 and Li4SnS439Exciton spectra and energy band structure of Cu2ZnSiSe411Polarized Raman scattering analysis of Cu2ZnSiS4and Cu2ZnSiSe4single crystals56The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS43Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure106Electronic structure of non-centrosymmetric Ag2HgSnS4 single crystal24Thermoelectric, band structure, chemical bonding and dispersion of optical constants of new metal chalcogenides Ba4CuGa5Q12 (Q=S, Se)4SHG Materials SnGa4Q7 (Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region141Excitonic and band-band transitions of Cu2ZnSiS4 determined from reflectivity spectra5Li2CdGeS4, A Diamond-Like Semiconductor with Strong Second-Order Optical Nonlinearity in the Infrared and Exceptional Laser Damage Threshold193Highly efficient infrared optical nonlinearity of a wide-bandgap chalcogenide Li_2CdGeS_422Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A2Sb2Sn3S10 (A=K, Rb, Cs)21Field-Induced Spin-Flop in Antiferromagnetic Semiconductors with Commensurate and Incommensurate Magnetic Structures: Li2FeGeS4 (LIGS) and Li2FeSnS4 (LITS)28NaIn3S5, a new compound from the CaS–In2S3/NaBr system11Syntheses, Structures, and Nonlinear-Optical Properties of Metal Sulfides Ba2Ga8MS16 (M = Si, Ge)94Solvothermal Syntheses and Characterizations of Selenidostannate Salts of Transition Metal Complex Cations: Conformational Flexibility of the Lamellar [Sn3Se72–]n Anion19Designing the syntheses and photophysical simulations of noncentrosymmetric compounds17An investigation of new infrared nonlinear optical material: BaCdSnSe 4 , and three new related centrosymmetric compounds: Ba 2 SnSe 4 , Mg 2 GeSe 4 , and Ba 2 Ge 2 S 696Ba 2 GeS 4 and Mg 2 SnS 4 : synthesis, structures, optical properties and electronic structures41SnGa 2 GeS 6 : synthesis, structure, linear and nonlinear optical properties46Synthesis and characterization of a new mid-infrared transparent compound: acentric Ba 5 In 4 Te 4 S 713Second 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-CsPSe662Strongest Second Harmonic Generation in the Polar R3MTQ7 Family: Atomic Distribution Induced Nonlinear Optical Cooperation86Outstanding Laser Damage Threshold in Li2MnGeS4 and Tunable Optical Nonlinearity in Diamond-Like Semiconductors120Synthesis and Characterization of Mid-Infrared Transparency Compounds: Acentric BaHgS2 and Centric Ba8Hg4S5Se752Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)24Electrical properties of Cu 2 Zn(Sn 1−x Si x )S 4 ( x = 0.1, x = 0.4) compounds for absorber materials in solar-cells15First-principles study on electronic and optical properties of Cu2ZnSiV I4 (VI=S, Se, and Te) quaternary semiconductors14Multistep deposition of Cu2Si(S,Se)3 and Cu2ZnSiSe4high band gap absorber materials for thin film solar cells11X-ray diffraction investigation on Cu2ZnSiSe4 single and polycrystalline crystals15Modified Becke–Johnson (mBJ) exchange potential investigations of the optoelectronic structure of the quaternary diamond-like semiconductors Li2CdGeS4 and Li2CdSnS418A new class of lithium ion conductors with tunable structures and compositions: Quaternary diamond-like thiogermanates14Polymorphism and second harmonic generation in a novel diamond-like semiconductor: Li2MnSnS434Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis441Na4MgM2Se6 (M = Si, Ge): The First Noncentrosymmetric Compounds with Special Ethane-like [M2Se6]6– Units Exhibiting Large Laser-Damage Thresholds56L -cystine-assisted synthesis of Cu 2 ZnGeS 4 nanocrystal powder via solvothermal process12Oxychalcogenide BaGeOSe2: Highly Distorted Mixed-Anion Building Units Leading to a Large Second-Harmonic Generation Response96Li 3 AlSiO 5 : the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure54BaCdSnS 4 and Ba 3 CdSn 2 S 8 : syntheses, structures, and non-linear optical and photoluminescence properties97Microscopic interactions governing phase matchability in nonlinear optical materials6Structural, morphological and electrical properties of Cu2ZnSn1-xSixS4 (x = 0.8, x = 1) for solar-cells applications4Revealing the origin of the strong second harmonic generation of Li2CdXS4 and Li2CdXS4 (X = Ge or Sn)8Lead nitrate hydroxide: A strong second-order optical nonlinearity acentric crystal with high laser damage thresholds13Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides36Strong second harmonic generation in LiInX2 (X=Se, Te) chalcopyrite crystals as explored by first-principles methods30Midinfrared Nonlinear Optical Thiophosphates from LiZnPS4 to AgZnPS4: A Combined Experimental and Theoretical Study100Two new ternary chalcogenides Ba2ZnQ3(Q= Se, Te) with chains of ZnQ4tetrahedra: syntheses, crystal structure, and optical and electronic properties14Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds40Na 2 Hg 3 M 2 S 8 (M = Si, Ge, and Sn): New Infrared Nonlinear Optical Materials with Strong Second Harmonic Generation Effects and High Laser-Damage Thresholds186Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302Syntheses, crystal and electronic structure of a series of quaternary rare-earth sulfides MgRE6Si2S14 (RE = Y, Ce, Pr, Nd and Sm)7Exploring the electronic structure of Pb2+ ions containing material Pb16(OH)16(NO3)162Investigation of electronic structure and thermodynamic properties of quaternary Li-containing chalcogenide diamond-like semiconductors2Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures336Recent achievements on middle and far-infrared second-order nonlinear optical materials433BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations54Li 2 CdGeSe 4 and Li 2 CdSnSe 4 : biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence54Lithium borate Li 3 B 5 O 8 (OH) 2 with large second harmonic generation and a high damage threshold in the deep-ultraviolet spectral range16Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses77The first quaternary diamond-like semiconductor with 10-membered LiS 4 rings exhibiting excellent nonlinear optical performances104The influence of oxygen vacancies on the linear and nonlinear optical properties of Pb 7 O(OH) 3 (CO 3 ) 3 (BO 3 )41Two haloid borate crystals with large nonlinear optical response32Second harmonic generation response of the cubic chalcogenides Ba(6−x)Srx[Ag(4−y)Sn(y/4)](SnS4)49The optoelectronic properties of a solar energy material: Ag2HgSnS40Discovery-Synthesis, Design, and Prediction of Chalcogenide Phases208Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship338Li3VO4: A Promising Mid-Infrared Nonlinear Optical Material with Large Laser Damage Threshold51Spin-polarized Second Harmonic Generation from the Antiferromagnetic CaCoSO Single Crystal148Solvothermal syntheses, crystal structures, and optical and thermal properties of transition metal selenidostannates9K2ZnSn3Se8: A Non‐Centrosymmetric Zinc Selenidostannate(IV) Featuring Interesting Covalently Bonded [ZnSn3Se8]2− Layer and Exhibiting Intriguing Second Harmonic Generation Activity19Na2ZnSn2S6: A mixed-metal thiostannate with large second-harmonic generation response activated by penta-tetrahedral [ZnSn4S14]10− clusters10Ba 6 Zn 7 Ga 2 S 16 : A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties111Coexistence of Strong Second Harmonic Generation Response and Wide Band Gap in AZn4Ga5S12 (A=K, Rb, Cs) with 3D Diamond‐like Frameworks65Structural, elastic, electronic and optical properties of the novel quaternary diamond-like semiconductors Cu2MgSiS4 and Cu2MgGeS433Pb0.65Mn2.85Ga3S8 and Pb0.72Mn2.84Ga2.95Se8: Two Quaternary Metal Chalcognides with Open-Tunnel-Framework Structures Displaying Intense Second Harmonic Generation Responses and Interesting Magnetic Properties17Reactive Fluxes0Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se137Fast Room Temperature Synthesis of the Thiostannate [Ni(2amp)3]2[Sn2S6]·9.5H2O: Crystal Structure and Properties13New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials245Electronic structure and optical properties of Ag2HgSnSe4: First-principles DFT calculations and X-ray spectroscopy studies81Search for New Half-Metallic Ferromagnets in Quaternary Diamond-Like Compounds I–II2–III–VI4 and I2–II–IV–VI4 (I = Cu; II = Mn, Fe, Co; III = In; IV = Ge, Sn; VI = S, Se, Te)35Indium phosphide metasurface with enhanced nonlinear absorption13First principle study of nonlinear optical crystals15Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26New 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 threshold142Remarkable multimember-ring configurations in a new family of Na 7 M II Sb 5 S 12 (M II = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures25Structural 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)63Six New Members of the A2MIIMIV3Q8 Family and Their Structural Relationship26Multinary metal chalcogenides with tetrahedral structures for second-order nonlinear optical, photocatalytic, and photovoltaic applications183Nonbonding Electrons Driven Strong SHG Effect in Hg2GeSe4: Experimental and Theoretical Investigations61Ternary Mixed-Metal Cd4GeS6: Remarkable Nonlinear-Optical Properties Based on a Tetrahedral-Stacking Framework41Cation substitution inducing gap changes and covalent interaction flexibility enhancing second harmonic generation responses in d10 metal chalcogenides11Synthesis and Characterization of Ag2MnSnS4, a New Diamond‐like Semiconductor14Synthesis, Crystal Structure, and Optical Properties of Noncentrosymmetric Na2ZnSnS434Modifying Disordered Sites with Rational Cations to Regulate Band-Gaps and Second Harmonic Generation Responses Markedly: Ba6Li2ZnSn4S16 vs Ba6Ag2ZnSn4S16 vs Ba6Li2.67Sn4.33S1625Electronic band structure and basic optical constants of TlGaSn2Se6, a promising NLO semiconductor: First-principles calculations under DFT framework12Ba 4 (BS 3 S) 2 S 4 : a new thioborate with unprecedented [BS 3 -S] and [S 4 ] fundamental building blocks19Li 2 ZnGeS 4 : a promising diamond-like infrared nonlinear optical material with high laser damage threshold and outstanding second-harmonic generation response43Rational design of a new chalcogenide with good infrared nonlinear optical performance: SrZnSnS 452First principle study of structural, electronic, optical and electric properties of Ag2ZnGeX4(S, Se)10Ba10In6Zn7S26-nZnS: An Inorganic Composite System with Interface Phase-Matching Tuned for High-Performance Infrared Nonlinear Optical Materials13[Ge2S5(S2)]4−, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li2Cs4Ge2S5(S2)Cl2: An Experimental and Theoretical study18Growth and physicochemical investigations on wide bandgap 2D polymeric amino acetic acid sulfato dilithium metal–organic framework1Synthesis, Structure, and Characterization of Two Mixed-Cation Quaternary Chalcogenides K2BaSnQ4 (Q = S, Se)19Syntheses, structural variants and characterization of A2CdSn2S6 (A = Cs, Rb and K) compounds13Li4HgSn2Se7: The First Second-Order Nonlinear Optical-Active Selenide in the I4–II–IV2–VI7 Diamond-like Family32

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  1. ChemInform Abstract: Second‐Harmonic Generation and Crystal Structure of the Diamond‐Like Semiconductors Li2CdGeS4 and Li2CdSnS4.

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  2. Syntheses, Crystal and Electronic Structures, and Physical Properties of Quaternary Semiconductors: Ln2Mn3Sb4S12(Ln = Pr, Nd, Sm, Gd)

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  3. Temperature-dependent study of the band-edge excitonic transitions of Cu2ZnSiS4 single crystals by polarization-dependent piezoreflectance

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  4. Near band edge anisotropic optical transitions in wide band gap semiconductor Cu2ZnSiS4

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  5. Absorption-edge anisotropy of Cu2ZnSiQ4 (Q = S, Se) quaternary compound semiconductors

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  6. Cu2ZnSiS4

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  7. Polarization-dependent electrolyte electroreflectance study of Cu2ZnSiS4 and Cu2ZnSiSe4 single crystals

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  8. Electronic, optical and lattice dynamic properties of the novel diamond-like semiconductors Li 2 CdGeS 4 and Li 2 CdSnS 4

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  9. Interrelationship “composition - structure - property” for Cu- and Ge-bearing sulfides

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  10. Anisotropy of the spectroscopy properties of the wurtz-stannite Cu2ZnGeS4 single crystals

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  11. Tl2Hg3Q4 (Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors

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  12. Structure Change Induced by Terminal Sulfur in Noncentrosymmetric La 2 Ga 2 GeS 8 and Eu 2 Ga 2 GeS 7 and Nonlinear-Optical Responses in Middle Infrared

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  13. The crystal and electronic band structure of the diamond-like semiconductor Ag2ZnSiS4

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  14. Cationic quaternary chalcohalide nanobelts: Hg4In2Q3Cl8 (Q = S, Se, Te)

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  15. Large Crystal Growth and New Crystal Exploration of Mid-Infrared Second-Order Nonlinear Optical Materials

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  16. Cation ordering and physicochemical characterization of the quaternary diamond-like semiconductor Ag2CdGeS4

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  17. Photoluminescence and Raman scattering characterization of Cu2ZnSiQ4 (Q=S, Se) single crystals

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  18. Optical and photoconductivity spectra of novel Ag2In2SiS6 and Ag2In2GeS6 chalcogenide crystals

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  19. First-principles studies on linear and nonlinear optical effects in Ln4GaSbS9 (Ln=Ce–Nd, Sm, Gd–Tm, Lu)

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  20. Crystal Growth and Characterization of the X-ray and γ-ray Detector Material Cs2Hg6S7

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  21. Understanding Fluxes as Media for Directed Synthesis: In Situ Local Structure of Molten Potassium Polysulfides

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  22. Photovoltaic, photoelectric and optical spectra of novel AgxGaxGe1−xSe2 (0.167 ≤ x ≤ 0.333) quaternary single crystals

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  23. Quaternary Tellurides with Different Valent Ge Centers: Cs2Ge3M6Te14 (M = Ga, In)

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  24. Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S8

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  25. Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12 (A = K, Rb, Cs)

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  26. Temperature operated infrared nonlinear optical materials based on Tl4HgI6

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  28. Synchrotron X‐ray Powder Diffraction and Electronic Band Structure of α‐ and β‐Cu2ZnSiS4

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  29. First Principles Investigations on Structural, Elastic, Electronic, and Optical Properties of Li2CdGeS4

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  30. Influence of Replacing Si by Ge in the Chalcogenide Quaternary Sulfides Ag2In2Si(Ge)S6 on the Chemical Bonding, Linear and Nonlinear Optical Susceptibilities, and Hyperpolarizability

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  31. Effect of cation ordering on the electronic and lattice dynamic properties of Ag2CdGeS4 polytypes: First-principle calculation

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  32. Ba2Sb4GeS10

    Acta Crystallographica Section E Structure Reports Online · 2013-04-04

    Lei Geng

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  33. Heterometallic Clusters [CuSn3S9]5− and [Cu6Sn6S20]10−: Solvothermal Synthesis and Characterization of 4f–3d Thiostannates

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  34. New Metal Chalcogenides Ba4CuGa5Q12 (Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response

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