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RESEARCH PAPER · Journal of the American Chemical Society · 2015

Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14

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Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14Original“XA 6 ” octahedra influencing the arrangement of anionic groups and optical properties in inverse-perovskite [B 6 O 10 ]XA 3 (X = Cl, Br; A = alkali metal)19Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO 474Optimized growth and electro-elastic properties of centimeter-sized piezoelectric crystals of Na 2 TeW 2 O 912Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family148Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)22ChemInform Abstract: Bidenticity‐Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14.0LiSc(SeO3)2·xH2O (0 ≤ x ≤ 1): New Selenites Revealing Water Molecule-Driven Extremely High Temperature Single-Crystal-to-Single-Crystal Transformations16Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302A New Deep-Ultraviolet Transparent Orthophosphate LiCs 2 PO 4 with Large Second Harmonic Generation Response384BiFSeO 3 : An Excellent SHG Material Designed by Aliovalent Substitution207A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS725“All-Three-in-One”: A New Bismuth–Tellurium–Borate Bi3TeBO9 Exhibiting Strong Second Harmonic Generation Response223Strong Nonlinear-Optical Response in the Pyrophosphate CsLiCdP2O7 with a Short Cutoff Edge69SrNO3(OH)·H2O: A new member in strontium nitrate hydrate family with an ultraviolet cut-off edge7Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10–d0 SCALP-Effect Cations85Exploring the Origin of High Dechlorination Activity in Polar Materials M 2 B 5 O 9 Cl (M = Ca, Sr, Ba, Pb) with Built-In Electric Field69Collaborative enhancement from Pb 2+ and F − in Pb 2 (NO 3 ) 2 (H 2 O)F 2 generates the largest second harmonic generation effect among nitrates91M 3 V 2 B 10 O 23 (M = Ca, Sr): two new vanadoborates with [V 2 B 10 O 23 ] ∞ double layers11Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses77Na 6 Si 3 S 8 O: the first example of a sulfide silicate exhibiting unusual tri-polymerized [Si 3 S 8 O] 6− units without S–O bonds8Syntheses, structures and properties of metal phosphates Pb 2 Mg(PO 4 ) 2 , Pb 4 Zn 8 (PO 4 ) 8 and α-BaZn 2 (PO 4 ) 28M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications238Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F2184Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F278Syntheses, Crystal Structures, and Properties of Two Quaternary Selenite/Tellurite‐Nitrates with Formula of Bi(SeO 3 )(NO 3 ) and Bi 3 (μ 3 ‐OH)(TeO 3 ) 3 (NO 3 ) 216Li3VO4: A Promising Mid-Infrared Nonlinear Optical Material with Large Laser Damage Threshold51Li2HgMS4 (M = Si, Ge, Sn): New Quaternary Diamond-Like Semiconductors for Infrared Laser Frequency Conversion64The enhancement of birefringence resulted from anionic dimensionality changes through adjusting cationic density14Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides21Synthesis and characterization of two lead-containing metal chalcogenides: Ba5Pb2Sn3S13 and Ba6PbSn3Se137Electric–elastic properties of a novel high-quality CdTeMoO 6 piezoelectric crystal12Four new quaternary chalcogenides A 2 Ba 7 Sn 4 Q 16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation26Ion-induced structural and optical performance evolution in LBO-like crystals: experimental and theoretical investigation13K 2 TeP 2 O 8 : a new telluro-phosphate with a pentagonal Te–P–O layer structure26Tailored fabrication of a prospective acousto–optic crystal TiTe 3 O 8 endowed with high performance26A Member of Fluorooxoborates: Li2Na0.9K0.1B5O8F2 with the Fundamental Building Block B5O10F2 and a Short Cutoff Edge27Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications18The relationship between covalent bonds and the optical response in a nonpolar family ATeMoO 6 (A=Mg, Zn, Cd): A Berry-phase investigation14Rational Design of the First Lead/Tin Fluorooxoborates MB2O3F2 (M = Pb, Sn), Containing Flexible Two-Dimensional [B6O12F6]∞ Single Layers with Widely Divergent Second Harmonic Generation Effects211MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties35Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions206Syntheses, Structures, and Properties of Non-Centrosymmetric Quaternary Tellurates BiMTeO6 (M = Al, Ga)21Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials95Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞ chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties8V-doping in a potential nonlinear optical material Sr2Nb2O7 for increasing the SHG response: A first-principles study2Novel tantalum phosphate Na13Sr2Ta2(PO4)9: synthesis, crystal structure, DFT calculations and Dy3+-activated fluorescence performance23PbCdF(SeO 3 )(NO 3 ): A Nonlinear Optical Material Produced by Synergistic Effect of Four Functional Units52Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)222Rational Design of a LiNbO3-like Nonlinear Optical Crystal, Li2ZrTeO6, with High Laser-Damage Threshold and Wide Mid-IR Transparency Window152A Langbeinite-Type Yttrium Phosphate LiCs2Y2(PO4)336Ba 4 Bi 2 (Si 8−x B 4+x O 29 ) ( x = 0.09): a new acentric metal borosilicate as a promising nonlinear optical material53A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials98A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials78Ba 3 B 10 O 17 F 2 ·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B–O/F anionic arrangement17Two new tin( iv )-containing phosphate fluorides with two types of Sn( iv )–P–O–F frameworks and short cutoff edges0Four new deep ultraviolet borates with isolated B12O24 groups: Synthesis, structure, and optical properties9Shedding Light on the Intrinsic Characteristics of 3D Distorted Fluorite-Type Zirconium Tellurite Single Crystals12Highly Polarizable Hg2+ Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO4265New Members of SHG Active Dugganite Family, A3BC3D2O14 (A = Ba, Pb; B = Te, Sb; C = Al, Ga, Fe, Zn; D = Si, Ge, P, V): Synthesis, Structure, and Materials Properties30Syntheses, crystal structures, and characterizations of three new pyrophosphates CsNaZnP2O7, RbNaZnP2O7, and RbLiMgP2O710Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)17A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals48Langasite Family Nonlinear Optical Crystals9Na 3 Sc 2 (PO 4 ) 2 F 3 : rational design and synthesis of an alkali rare-earth phosphate fluoride as an ultraviolet nonlinear optical crystal with an enlarged birefringence49PbSrSiO 4 : a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence37Polar polymorphism: α- and β-KCsWP 2 O 9 nonlinear optical materials with a strong second harmonic generation response25Tuning the Langasite, La 3 SbZn 3 Si 2 O 14 , towards white light emission: synthesis, structure, SHG and photoluminescence studies19Ultraviolet nonlinear optical crystal: (NH4)ZnPO47Noncentrosymmetric Orthophosphate YM3(PO4)3 (M = Sr, Ba) Crystals: Single Crystal Growth, Structure, and Properties34Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O726Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O951Effect of Mo/P Ratios on Dimensions: Syntheses, Structures, and Properties of Three New Molybdophosphates10Aliovalent-substituted synthesis for a non-centrosymmetric phosphate with enhanced nonlinear-optical response5Second-Order Nonlinear-Optical-Active Selenide Borate YSeBO2: Featuring a [YSeBO2]n Planar Belt39Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials137Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials29K 2 Sb(P 2 O 7 )F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance297K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance38NaTePO5, SrTeP2O8 and Ba2TeP2O9: Three tellurite-phosphates with large birefringence22A2BBi2(PO4)2(P2O7) (A = K, Rb, B = Pb, Cd): the Effect of Cation Sizes on Structural Evolution10Cs 3 Pb 2 (CH 3 COO) 2 X 5 (X=I, Br): Halides with Strong Second‐Harmonic Generation Response Induced by Acetate Groups75Cs3Pb2(CH3COO)2X5 (X=I, Br): Halides with Strong Second‐Harmonic Generation Response Induced by Acetate Groups22K8Cd21Pb7(P2O7)16 and KCd2P3O10: Two new phosphates featuring special structure configurations2Chiral Template‐Driven Macroscopic Chirality Control: Structure‐Second‐Harmonic Generation Properties Relationship24AgBi(SO 4 )(IO 3 ) 2 : aliovalent substitution induces structure dimensional upgrade and second harmonic generation enhancement37Centrosymmetric RbSnF 2 NO 3 vs. noncentrosymmetric Rb 2 SbF 3 (NO 3 ) 254From thiophosphate to chalcohalide: mixed-anion AgS x Cl y ligands concurrently enhancing nonlinear optical effects and laser-damage threshold10In situ hydrothermal synthesis of polar second-order nonlinear optical selenate Na 5 (SeO 4 )(HSeO 4 ) 3 (H 2 O) 219K 2 ZnMoP 2 O 10 : a novel nonlinear optical molybdophosphate with a strong second harmonic generation response and moderate birefringence24M 6 PS 5 X (M = Ag, Cu; X = Cl, Br) chalcohalides exhibiting strong nonlinear optical responses and high laser damage resistances9Na 4 SnS 4 and Na 4 SnSe 4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors27Pb 2 TiFO(SeO 3 ) 2 Br: a new polar compound with the strongest second harmonic generation in the selenite bromide family29Rb3In(SO4)3: a defluorinated mixed main-group metal sulfate for ultraviolet transparent nonlinear optical materials with a large optical band gap26Ba3Sb2(PO4)4 and Cd3Sb2(PO4)4(H2O)2: Two New Antimonous Phosphates with Distinct [Sb(PO4)2] Structure Types and Enhanced Birefringence37A comprehensive survey on nonlinear optical phosphates: Role of multicoordinate groups106Daylight-White-Emitting and Abnormal Thermal Antiquenching Phosphors Based on a Layered Host SrIn 2 (P 2 O 7 ) 253A2(TeO)P2O7 (A = K, Rb, Cs): Three new tellurite-pyrophosphates with large birefringence17[C(NH2)3]3PO4·2H2O: A new metal-free ultraviolet nonlinear optical phosphate with large birefringence and second-harmonic generation response70Borosilicate Crystal LaBSiO5: A New Promising Ultraviolet Quasiphase Matching Material31UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate196UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate28Unique Unilateral-Chelated Mode-Induced d–p−π Interaction Enhances Second-Harmonic Generation Response in New Ln3LiMS7 Family41A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution32Sn2PO4I: An Excellent Birefringent Material with Giant Optical Anisotropy in Non π‐Conjugated Phosphate212Sn2PO4I: An Excellent Birefringent Material with Giant Optical Anisotropy in Non π‐Conjugated Phosphate22A Lead Mixed Halide with Three Different Coordinated Anions and Strong Second‐Harmonic Generation Response10Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106[ASr 4 Cl][Ge 3 S 10 ] (A = Na, K) and [KBa 4 Cl][Ge 3 S 10 ]: new salt-inclusion infrared nonlinear optical crystals with zero-dimensional [Ge 3 S 9 ] clusters32Cd 2 (IO 3 )(PO 4 ) and Cd 1.62 Mg 0.38 (IO 3 )(PO 4 ): metal iodate-phosphates with large SHG responses and wide band gaps28KPb 3 ( o -C 5 H 4 NCOO) 2 Cl 5 : a brand-new stable lead chloride with good comprehensive nonlinear optical performance5Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence0PO(CH 2 CH 2 CF 3 ) 3 : an organic ultraviolet nonlinear optical material without any anionic group3Rational design of a promising oxychalcogenide infrared nonlinear optical crystal60Nonlinear optical and detonation properties of semiorganic nitrate crystal C6H14N2(NO3)3·H3O8An Optimized KBe2BO3F2‐Like Structure: The Unity of Deep‐Ultraviolet Transparency, Nonlinear Optical Property, and Ferroelectricity22Two Metal Phosphate Nonlinear Optical Materials Simultaneously Exhibiting Ultraviolet Transparence and a Large Birefringence50AgGaSe2-Inspired Nonlinear Optical Materials: Tetrel Selenides of Alkali Metals and Mercury34Design of a new ultraviolet nonlinear optical material KNO3SO3NH3 exhibiting an unexpected strong second harmonic generation response44Oxychalcogenides as Promising Ultraviolet Nonlinear Optical Candidates: Experimental and Theoretical Studies of AEGeOS2(AE = Sr and Ba)24Ag[SC(NH2)2]2F: A Laser Damage-Tolerant Infrared Nonlinear Optical Material9Phosphites: A Nonlinear Optical Materials System with a Wide Band Gap and Moderate Second-Harmonic Generation Effect27LiNa5Mo9O30 (LNM) crystal for nonlinear optical frequency conversion6LiKCuP2O7: Cation substitution application with mixed-alkaline copper-containing pyrophosphate and magnetic properties2Birefringence Dispersion Management of Langasite Nonlinear Crystals for the Improvement of Mid-Infrared Amplification10An effective pathway to design and synthesize UV birefringent crystals via rational assembly of π-conjugated [CO 3 ] 2− and [NO 3 ] − triangles32KNa 2 La 2 (BO 3 ) 3 : a shortite-type lanthanide borate exhibiting strong nonlinear optical activity induced by isolated [BO 3 ] triangles and distorted [LaO 9 ] polyhedra26Low temperature molten salt synthesis of noncentrosymmetric (NH 4 ) 3 SbF 3 (NO 3 ) 3 and centrosymmetric (NH 4 ) 3 SbF 4 (NO 3 ) 234Single crystal growth and phase transition mechanism of KCsMoP 2 O 9 with efficient second harmonic generation via the emerging additional periodic phase technology4Structure and optical property evolution in PbM(PO 4 )X (M = Zn, Sn; X = halogen): SHG effect and birefringence21Intense d‐p Hybridization in Nb3O15 Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates51Intense d‐p Hybridization in Nb3O15 Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates7A Rare‐Earth Selenite with Unexpectedly Well‐Balanced Ultraviolet Nonlinear Optical Functionality, Sc(HSeO 3 ) 331Recent advances of inorganic phosphates with UV/DUV cutoff edge and large second harmonic response7Cs 2 Mg(H 2 C 3 N 3 S 3 ) 4 ·8H 2 O: An Excellent Birefringent Material with Giant Optical Anisotropy in π-Conjugated Trithiocyanurate19AAl(Te 4 O 10 ) (A = Na, Ag) and K 2 Ga 2 (HTe 6 O 16 )(HTeO 3 ): Three Aluminum/Gallium Tellurites with Large Birefringence and Wide Band Gap21Atomic Substitution to Tune ScO6 Distortion in Ba2MSc2(BO3)4 (M = Na, K, Ba) to Acquire a Large Birefringence15Hg3(SeO3)2(SO4): A UV Nonlinear Optical Mercury Selenite Sulfate Constructed by Neat [Hg6O8(SeO3)4]∞ Layers and SO4 Tetrahedra27Centrosymmetric Rb2Sb(C2O4)2.5(H2O)3 and Noncentrosymmetric RbSb2(C2O4)F5: Two Antimony (III) Oxalates as UV Optical Materials20Deep-ultraviolet (DUV) nonlinear optical (NLO) crystals: An application in photonic technologies29Sr(NH2SO3)(NO3)·H2O: An Ultraviolet Nonlinear Optical Material Exhibiting Strong Second-Harmonic Generation Response and Sufficient Birefringence10Achieving strong second harmonic generation effects induced via dimensional increase of PbX 6 octahedra and halogen substitutes in (C 10 H 11 N 3 )PbX 4 (X = Cl or Br)26Novel antimony phosphates with enlarged birefringence induced by lone pair cations4Structural characterisation and optical properties of new alkaline earth phosphate CaMg(P 4 O 12 ) and alkaline alumophosphate Cs 3 Al 4 (PO 4 ) 51The effect of co-substitution of heterovalent ions Ga 3+ and Sb 5+ on nonlinear optical properties of phosphate crystals0Sb4O5I2: Enhancing Birefringence through Optimization of Sb/I Ratio for Alignment of Stereochemically Active Lone Pairs18Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization10(C4H6N3O)(HSO4): A Cytosinium Bisulfate with Large Birefringence and Moderate Second Harmonic Generation Effect Produced via Combining a Promising Planar Nonlinear Optical-Active Motif with a Tetrahedral Group13[C(NH2)3]10(MoO3)10(PO4)2(HPO4)2·5H2O: Synergy effect of multiple functional units results in significant birefringence10La3Ga5M0.5Sn0.5O14, (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 Octahedra4Breaking through the ‘‘200 nm deep-ultraviolet wall’’ of phase matching region by cation structural modulation27

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  1. “XA 6 ” octahedra influencing the arrangement of anionic groups and optical properties in inverse-perovskite [B 6 O 10 ]XA 3 (X = Cl, Br; A = alkali metal)

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  2. Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO 4

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  3. Optimized growth and electro-elastic properties of centimeter-sized piezoelectric crystals of Na 2 TeW 2 O 9

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  4. Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family

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  5. Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)

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  6. ChemInform Abstract: Bidenticity‐Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14.

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  13. Strong Nonlinear-Optical Response in the Pyrophosphate CsLiCdP2O7 with a Short Cutoff Edge

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  16. Exploring the Origin of High Dechlorination Activity in Polar Materials M 2 B 5 O 9 Cl (M = Ca, Sr, Ba, Pb) with Built-In Electric Field

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  23. Beryllium‐Free β‐Rb2Al2B2O7 as a Possible Deep‐Ultraviolet Nonlinear Optical Material Replacement for KBe2BO3F2

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  25. Syntheses, Crystal Structures, and Properties of Two Quaternary Selenite/Tellurite‐Nitrates with Formula of Bi(SeO 3 )(NO 3 ) and Bi 3 (μ 3 ‐OH)(TeO 3 ) 3 (NO 3 ) 2

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  45. V-doping in a potential nonlinear optical material Sr2Nb2O7 for increasing the SHG response: A first-principles study

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  48. Why Some Noncentrosymmetric Borates Do Not Make Good Nonlinear Optical Materials: A Case Study with K3B5O8(OH)2

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  49. Rational Design of a LiNbO3-like Nonlinear Optical Crystal, Li2ZrTeO6, with High Laser-Damage Threshold and Wide Mid-IR Transparency Window

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