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RESEARCH PAPER · Nature Communications · 2014

Beryllium-free Li4Sr(BO3)2 for deep-ultraviolet nonlinear optical applications

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Beryllium-free Li4Sr(BO3)2 for deep-ultraviolet nonlinear optical applicationsOriginalGrowth and properties of a noncentrosymmetric polyphosphate CsLa(PO 3 ) 4 crystal with deep-ultraviolet transparency100Deep-Ultraviolet Transparent Phosphates RbBa 2 (PO 3 ) 5 and Rb 2 Ba 3 (P 2 O 7 ) 2 Show Nonlinear Optical Activity from Condensation of [PO 4 ] 3– Units354Y(IO3)3 as a Novel Photocatalyst: Synthesis, Characterization, and Highly Efficient Photocatalytic Activity44(MMgBO3)n (n = 1, M = Li, Na, K, Rb and n = 4, M = Cs): An investigation on the structure transition and optical properties8An Acentric Calcium Borate Ca2[B5O9]·(OH)·H2O: Synthesis, Structure, and Nonliner Optical Property94Effect of N5+ion irradiation on l -ornithine monohydrochloride single crystals: an organic nonlinear optical material4Layer‐Dependent Nonlinear Optical Properties and Stability of Non‐Centrosymmetric Modification in Few‐Layer GaSe Sheets194Layer‐Dependent Nonlinear Optical Properties and Stability of Non‐Centrosymmetric Modification in Few‐Layer GaSe Sheets31Cation effect investigation on electronic structure, magnetic and optical properties of Li2Pb2CuB4O103Anomalous second-harmonic generation response in SrBPO 5 and BaBPO 541Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba( ii )/Sr( ii ) and Li( i ) coordination polyhedra8Bi 2 O 2 (OH)(NO 3 ) as a desirable [Bi 2 O 2 ] 2+ layered photocatalyst: strong intrinsic polarity, rational band structure and {001} active facets co-beneficial for robust photooxidation capability384Pb 6 Ba 2 (BO 3 ) 5 X (X = Cl, Br): new borate halides with strong predicted optical anisotropies derived from Pb 2+ and (BO 3 ) 3−23Synthesis and optical properties of the first lead borate bromide with isolated BO 3 groups: Pb 2 Ba 3 (BO 3 ) 3 Br26Theoretical perspective of the lone pair activity influence on band gap and SHG response of lead borates24Simulated pressure-induced blue-shift of phase-matching region and nonlinear optical mechanism for K3B6O10X (X = Cl, Br)167Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal270Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge241Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge60Predicting and Designing Optical Properties of Inorganic Materials71The lone-pairs enhanced birefringence and SHG response: A DFT investigation on M2B5O9Cl (M=Sr, Ba, and Pb)48Ba2B6O11, a Member of the BaO‐B2O3 Family, Featuring a Layer Framework19Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System223Series of SHG Materials Based on Lanthanide Borate–Acetate Mixed Anion Compounds39Crystal structure, spectroscopic studies and non‐linear optical properties of 2‐amino‐3‐nitropyridinium trichloroacetate15RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material341Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series114The mechanism for the nonlinear optical properties in La9Na3B8O27, La2Na3B3O9and La2CaB10O19:ab initiostudies13Growth, anisotropic spectroscopy and laser operation of the monoclinic Nd:KGd(PO 3 ) 4 crystal6Li 3 AlSiO 5 : the first aluminosilicate as a potential deep-ultraviolet nonlinear optical crystal with the quaternary diamond-like structure54Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14169Recent development of metal borate halides: Crystal chemistry and application in second-order NLO materials340“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)19A theoretical study on superalkali-doped nanocages: unique inorganic electrides with high stability, deep-ultraviolet transparency, and a considerable nonlinear optical response99Alkali metal–alkaline earth metal borate crystal LiBa 3 (OH)(B 9 O 16 )[B(OH) 4 ] as a new deep-UV nonlinear optical material34An effective strategy to achieve deeper coherent light for LiB 3 O 529Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO 474Frequency-Doubling Oxide Fluorides, Borate Fluorides, and Fluorooxoborates9Hierarchized band gap and enhanced optical responses of trivalent rare-earth metal nitrates due to (d–p)π conjugation interactions22Influence of original and simulated microscopic units on SHG response in semiorganic NLO materials9KPb 2 (PO 3 ) 5 : a novel nonlinear optical lead polyphosphate with a short deep-UV cutoff edge109M 2 Ca 3 B 16 O 28 (M = Rb, Cs): structures analogous to SBBO with three-dimensional open-framework layers10Manipulation of birefringence via substitution of Sr 2+ by Pb 2+ based on the structure model of LiSr 1−x Pb x BO 3 (0 ≤ x ≤ 0.5)5Optimized growth and electro-elastic properties of centimeter-sized piezoelectric crystals of Na 2 TeW 2 O 912Pb 2 Bi 2 GaB 3 O 11 , a new congruent-melting galloborate containing two types of asymmetric cations with a moderate birefringence5The mechanism of large second harmonic generation enhancement activated by Zn 2+ substitution35Three new phosphates with isolated P 2 O 7 units: noncentrosymmetric Cs 2 Ba 3 (P 2 O 7 ) 2 and centrosymmetric Cs 2 BaP 2 O 7 and LiCsBaP 2 O 768Functionalized organic frameworks explored as second order NLO agents3A Cubic Non-Centrosymmetric Mixed-Valence Iron Borophosphate–Phosphite6Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem256Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material101Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family148Crystal growth and optical characteristics of beryllium-free polyphosphate, KLa(PO3)4, a possible deep-ultraviolet nonlinear optical crystal101Homogeneous {001}-BiOBr/Bi Heterojunctions: Facile Controllable Synthesis and Morphology-Dependent Photocatalytic Activity121Na 2 ZnGe 2 S 6 : A New Infrared Nonlinear Optical Material with Good Balance between Large Second-Harmonic Generation Response and High Laser Damage Threshold302Synthesis, Characterization, and Theoretical Studies of (Pb4O)Pb2B6O14: A New Lead(II) Borate with Isolated Oxygen-Centered Pb4O Tetrahedra and Large Second Harmonic Generation Response41Top-Seeded Solution Crystal Growth, Morphology, Optical and Thermal Properties of Ba3(ZnB5O10)PO442Deep‐Ultraviolet Nonlinear Optics in a Borate Framework with 21‐Ring Channels109A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3 Groups49Ln2Ga[B3O6(OH)]2[B7O9(OH)2](CH3CO2)2 (Ln = Y, Sm, Eu, Gd, Dy): A Series of Lanthanide Galloborates Decorated by Acetate Anions26Crystal Growth and Associated Properties of a Nonlinear Optical Crystal—Ba2Zn(BO3)226A New Deep-Ultraviolet Transparent Orthophosphate LiCs 2 PO 4 with Large Second Harmonic Generation Response384Deep Ultraviolet Nonlinear Optical Materials644Two‐Dimensional Layered Gallium Selenide: Preparation, Properties, and Applications10DFT Based Theoretical Study about the Contributions of Fluorine to Nonlinear Optical Properties in Borate Fluoride Crystals27K3B3O4(OH)4·2H2O: A UV Nonlinear Optical Crystal with Isolated [B3O4(OH)4]3– Anion Groups21Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation382Pb2BO3Cl: A Tailor‐Made Polar Lead Borate Chloride with Very Strong Second Harmonic Generation129Growth, Properties, and Theoretical Analysis of KBa2(PO3)5 Single Crystal51Positive and negative contribution to birefringence in a family of carbonates: A Born effective charges analysis36Deep-Ultraviolet Transparent Cs 2 LiPO 4 Exhibits an Unprecedented Second Harmonic Generation160Theoretical Study of the Substituent Effects on the Nonlinear Optical Properties of a Room‐Temperature‐Stable Organic Electride18LnBSb2O8 (Ln = Sm, Eu, Gd, Tb): A Series of Lanthanide Boroantimonates with Unusual 3D Anionic Structures15Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications29“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 edge7LiRb 2 LaB 2 O 6 : a new rare-earth borate with a MOF-5-like topological structure and a short UV cut-off edge14Cooperation of Three Chromophores Generates the Water‐Resistant Nitrate Nonlinear Optical Material Bi3TeO6OH(NO3)2113Cooperation of Three Chromophores Generates the Water‐Resistant Nitrate Nonlinear Optical Material Bi3TeO6OH(NO3)220Ba n+2 Zn n (BO 3 ) n (B 2 O 5 )F n (n = 1, 2): new members of the zincoborate fluoride series with two kinds of isolated B–O units33BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞ Layers and Short Phase-Matching Wavelength81Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn2BO3X2 (A = Na, K, Rb; X = Cl, Br)71Mixed-Metal Carbonate Fluorides as Deep-Ultraviolet Nonlinear Optical Materials259Na7[Ga2B13O24(OH)4]: A Luminescent Sodium Gallium Borate Containing Two Different Types of Oxoboron Framework Building Blocks4Synthesis, Crystal Structure, and Nonlinear Optical Properties of a New Alkali and Alkaline Earth Metal Carbonate RbNa5Ca5(CO3)810A new phase-matchable nonlinear optical silicate: Rb 2 ZnSi 3 O 825ACaBO 3 (A = Cs, Rb): two new cubic borates with isolated BO 3 groups24BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations54Characterization and optimization of the growth conditions of a novel Cs 2 TeW 3 O 12 piezoelectric crystal5Experimental and ab initio studies of Cd 5 (BO 3 ) 3 Cl: the first cadmium borate chlorine NLO material with isolated BO 3 groups21Explorations of new UV nonlinear optical materials in the Na 2 CO 3 –CaCO 3 system37KB(PO 4 )F: a novel acentric deep-ultraviolet material43Li 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 photoluminescence54Li 3 Ge 3 Se 6 : the first ternary lithium germanium selenide with interesting ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6− clusters8Li 6 Zn 3 (BO 3 ) 4 : a new zincoborate featuring vertex-, edge- and face-sharing LiO 4 tetrahedra and exhibiting reversible phase transitions18Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na 4 MB 2 P 3 O 13 (M = Rb, Cs) exhibiting a second-harmonic generation response23Na 2 CdGe 2 Q 6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses78New lead( ii ) borates in the PbO/PbF 2 /H 3 BO 3 ternary phase diagram: syntheses and structures of β-Pb 6 B 10 O 21 and Pb 4 B 8 O 164Solvent-controlled syntheses of mixed-alkali-metal borates exhibiting UV nonlinear optical properties23The first quaternary diamond-like semiconductor with 10-membered LiS 4 rings exhibiting excellent nonlinear optical performances104Theoretical investigation on the balance between large band gap and strong SHG response in BMO 4 (M = P and As) crystals22Two deep-ultraviolet nonlinear optical alkaline-earth metal borates based on different types of oxoboron clusters56Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)255Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems151Facile Syntheses of Ba2[B4O7(OH)2] and Na[B5O7(OH)2](H2O) Borate Salts Exhibiting Nonlinear Optical Activity in the Ultraviolet50Top-Seeded Solution Crystal Growth and Linear and Nonlinear Optical Properties of Ba 4 B 11 O 20 F42M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications238Borate-Based Ultraviolet and Deep-Ultraviolet Nonlinear Optical Crystals58First-Principles Assisted Prediction of the Nonlinear Optical Behavior of Mg3B7O13Cl Crystal6(H 3 O)Ca 2 Zn 3.5 (PO 4 ) 4 and Ba 2 Cd 3 (PO 4 ) 2 (HPO 4 ) 2 : Syntheses, crystal structures and characterizations of two mixed metal phosphates12Li2HgMS4 (M = Si, Ge, Sn): New Quaternary Diamond-Like Semiconductors for Infrared Laser Frequency Conversion64Extending Unique 1D Borate Chains to 3D Frameworks by Introducing Metallic Nodes44Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides21Pb@Pb8 Basket-like-Cluster-Based Lead Tellurate–Nitrate Kleinman-Forbidden Nonlinear-Optical Crystal: Pb9Te2O13(OH)(NO3)326Borates A Novel Twofold Interpenetrating 3D Diamondoid Borate Framework Constructed from B 4 and B 5 Clusters15Novel borate supramolecular frameworks constructed from isolated B4/B5 clusters and 1-D B17-based chains8A New KBBF-Family Nonlinear Optical Material with Strong Interlayer Bonding51Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F1234Na2(H2en)[B5O8(OH)]2[B3O4(OH)]2 and Na3(HCOO)[B5O8(OH)]: Two Borates Co‐Templated by Inorganic Cations and Organic Compounds20Deep-Ultraviolet Nonlinear-Optical Material K3Sr3Li2Al4B6O20F: Addressing the Structural Instability Problem in KBe2BO3F2106Structurally stable borate as a UV nonlinear optical material20Ba5Zn4(BO3)6: A Nonlinear-Optical Material with Reinforced Interlayer Connections and Large Second-Harmonic-Generation Response33CsB 4 O 6 F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units184CsB4O6F: A Congruent‐Melting Deep‐Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units895A new mixed alkali metal borate: LiCs[B5O8(OH)]·H2O11LiGaGe2S6: A Chalcogenide with Good Infrared Nonlinear Optical Performance and Low Melting Point56A novel mixed-metal borate with large [B12O18(OH)6]6- motif: Synthesis, structure and property5Crystal Structure of Electroceramics0Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials267MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges42Structural and spectroscopic properties of new noncentrosymmetric self-activated borate Rb3EuB6O12 with B5O10 units182Crystal Growth and Optical Properties of Beryllium-Free Nonlinear Optical Crystal K3Ba3Li2Al4B6O20F35A beryllium-free deep-UV nonlinear optical material CsNaMgP 2 O 7 with honeycomb-like topological layers53Ba 2 ZnSc(BO 3 ) 3 and Ba 4 Zn 5 Sc 2 (BO 3 ) 8 : first examples of borates in the Zn–Sc–B–O system featuring special structure configurations15BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance16Cs 3 VO(O 2 ) 2 CO 3 : an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response130Design and synthesis of a nonlinear optical material BaAl 4 S 7 with a wide band gap inspired from SrB 4 O 764First principle study of nonlinear optical crystals15Influence of A-site cations on germanium iodates as mid-IR nonlinear optical materials: A 2 Ge(IO 3 ) 6 (A = Li, K, Rb and Cs) and BaGe(IO 3 ) 6 ·H 2 O43Li 8 NaRb 3 (SO 4 ) 6 ·2H 2 O as a new sulfate deep-ultraviolet nonlinear optical material93Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds76Pb 2 BO 3 Br: a novel nonlinear optical lead borate bromine with a KBBF-type structure exhibiting strong nonlinear optical response113Perfect balance harmony in Ba 2 NO 3 (OH) 3 : a beryllium-free nitrate as a UV nonlinear optical material184RbSe 3 B 2 O 9 (OH) and CsSe 3 B 2 O 9 (OH): one dimensional boroselenite-based anionic frameworks with second harmonic generation properties15Remarkable 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 structures25Synthesis, Characterization and Property of a New UV Nonlinear Optical Crystal KNa5Ca5(CO3)83The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge75Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials191Cation‐Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep‐Ultraviolet Nonlinear Optical Materials716

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  4. (MMgBO3)n (n = 1, M = Li, Na, K, Rb and n = 4, M = Cs): An investigation on the structure transition and optical properties

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

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  45. Pb 2 Bi 2 GaB 3 O 11 , a new congruent-melting galloborate containing two types of asymmetric cations with a moderate birefringence

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  47. Three new phosphates with isolated P 2 O 7 units: noncentrosymmetric Cs 2 Ba 3 (P 2 O 7 ) 2 and centrosymmetric Cs 2 BaP 2 O 7 and LiCsBaP 2 O 7

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  48. Functionalized organic frameworks explored as second order NLO agents

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  50. Designing a Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material without a Structural Instability Problem

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