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RESEARCH PAPER · Nature Communications · 2018

Ba3Mg3(BO3)3F3 polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materials

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Ba3Mg3(BO3)3F3 polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materialsOriginalNaCa4V5O17 with isolated V2O7 dimer and V3O10 trimer exhibiting a large birefringence18Rational Design of a LiNbO3-like Nonlinear Optical Crystal, Li2ZrTeO6, with High Laser-Damage Threshold and Wide Mid-IR Transparency Window152Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations11Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)23Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure245BaB2S4: An Efficient and Air-Stable Thioborate as Infrared Nonlinear Optical Material with High Laser Damage Threshold85A hydrogen-bonded inorganic-organic network with noncentrosymmetric structure exhibiting second-order nonlinear optical response4Ba 4 Bi 2 (Si 8−x B 4+x O 29 ) ( x = 0.09): a new acentric metal borosilicate as a promising nonlinear optical material53Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses25Experimental characterization and first principles calculations of linear and nonlinear optical properties of two orthophosphates A 3 Al 2 (PO 4 ) 3 (A = Rb, K)36[C5H12N]SnCl3: A Tin Halide Organic–Inorganic Hybrid as an Above‐Room‐Temperature Solid‐State Nonlinear Optical Switch56Li 4 Na 2 CsB 7 O 14 : a new edge-sharing [BO 4 ] 5− tetrahedra containing borate with high anisotropic thermal expansion52A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions137A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions23A 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 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge19Ca 2 GeB 2 O 7 and Ca 1.78 Cd 0.22 GeB 2 O 7 : two acentric borogermanates with a melilite-like structure and short ultraviolet cutoff edge14K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal79LiGeBO 4 : a nonlinear optical material with a balance between deep-ultraviolet cut-off edge and large SHG response induced by hand-in-hand tetrahedra21Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge9Sr[B(OH) 4 ](IO 3 ) and Li 4 Sr 5 [B 12 O 22 (OH) 4 ](IO 3 ) 2 : two unprecedented metal borate-iodates showing a subtle balance of enlarged band gap and birefringence34Li2CsB7O10(OH)4: A Deep-Ultraviolet Nonlinear-Optical Mixed-Alkaline Borate Constructed by Unusual Heptaborate Anions98A Niobium Oxyiodate Sulfate with a Strong Second‐Harmonic‐Generation Response Built by Rational Multi‐Component Design114A Niobium Oxyiodate Sulfate with a Strong Second‐Harmonic‐Generation Response Built by Rational Multi‐Component Design25Ba4M(CO3)2(BO3)2 (M=Ba, Sr): two borate-carbonates synthesized by open high temperature solution method29Photo-tunable linear and nonlinear optical response of cyclophanediene-dihydropyrene photoswitches9Zeolitic Open-Framework Borates with Noncentrosymmetric Structures and Nonlinear Optical Properties24Synthesis, growth and characterization of semi-organic nonlinear optical L-threnoninum sodium fluoride (LTSF) crystal for photonics application25An Amorphous Cobalt Borate Nanosheet-Coated Cobalt Boride Hybrid for Highly Efficient Alkaline Water Oxidation Reaction84Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates450NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates14[Ge2S5(S2)]4−, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li2Cs4Ge2S5(S2)Cl2: An Experimental and Theoretical study18Synthesis, characterization, and theoretical analysis of three new nonlinear optical materials K7MRE2B15O30 (M= Ca and Ba, RE= La and Bi)28RbB 11 O 16 (OH) 2 : First Hydroxyl Rubidium Borate with the B‐O 2D Layer Featuring Large Birefringence in the Rb‐B‐O‐H System5Effect of free oxygen radical anions and free electrons in a Ca12Al14O33 cement structure on its optical, electronic and antibacterial properties22K9[B4O5(OH)4]3(CO3)X·7H2O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate–Carbonates with Short UV Cutoff Edges16Transformation of the B–O Units from Corner-Sharing to Edge-Sharing Linkages in BaMBO4 (M = Ga, Al)33β‐CsB9O14: A Triple‐Layered Borate with Edge‐Sharing BO4 Tetrahedra Exhibiting a Short Cutoff Edge and a Large Birefringence30Effect of NaCl on the properties of sulphamic acid single crystals33Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Use of infrared-based devices in aesthetic medicine and for beauty and wellness treatments16Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties202D GeP as a Novel Broadband Nonlinear Optical Material for Ultrafast Photonics112Cs2Bi2O(Ge2O7) (CBGO): A Larger SHG Effect Induced by Synergistic Polarizations of BiO5 Polyhedra and GeO4 Tetrahedra73Cs2Bi2O(Ge2O7) (CBGO): A Larger SHG Effect Induced by Synergistic Polarizations of BiO5 Polyhedra and GeO4 Tetrahedra18Nitrate nonlinear optical crystals: A survey on structure-performance relationships146Optical linearity and bandgap analysis of RhB-doped PMMA/FTO polymeric composites films: A new designed optical system for laser power attenuation55Histidinium‐Driven Chirality Control of Self‐Assembled Hybrid Molybdenum Oxyfluorides24Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions21KMg(H 2 O)PO 4 : A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO 483A three-dimensional noncentrosymmetric zinc-4,4′,4′'-nitrilotribenzoate structure exhibiting second-harmonic generation responses5Design of novel inorganic alkaline earth metal doped aluminum nitride complexes (AEM@Al12N12) with high chemical stability, improved electronic properties and large nonlinear optical response47K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold114A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals48Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence28[O 2 Pb 3 ] 2 (BO 3 )I: a new lead borate iodide with 1∞[O 2 Pb 3 ] double chains6A review of the AI2B II C IV DVI4 family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties59From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation3Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions28K 2.64 Cs 0.36 SiF 7 : a new fluorosilicate with a trans -perovskite structure3Li 2 CdSiS 4 , a promising IR NLO material with a balanced E g and SHG response originating from the effect of Cd with d 10 configuration36Li 3 CaB 2 O 5 F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways5Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb 9 Ba 24 (BO 3 ) 196Structure-property relationship in nonlinear optical materials with π-conjugated CO3 triangles146Effects of P2O7 clusters arrangement on second harmonic generation responses of pyrophosphates14Two Covalent Ultraviolet Nonlinear Optical Crystals3Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate8K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions46Size Dependence of [ n ]Cycloparaphenylenes ( n = 9–20): Relationship between Aromaticity and Third-Order Nonlinear Optical Properties22Hydrogen-Bond-Assisted Reinforcement of Interlayer Connections in Zn2BO3X·H2O (X = Cl, Br): Two UV Nonlinear Optical Crystals with KBBF-Type Structure9A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge14Rational Design of the Metal‐Free KBe 2 BO 3 F 2 ⋅(KBBF) Family Member C(NH 2 ) 3 SO 3 F with Ultraviolet Optical Nonlinearity201Rational Design of the Metal‐Free KBe2BO3F2⋅(KBBF) Family Member C(NH2)3SO3F with Ultraviolet Optical Nonlinearity31Sr5[BO2(OH)]3(OH)3F: First hydroxyborate fluoride with the [BO2(OH)]2− unit2Zn3B7O13Cl: A New Deep-Ultraviolet Transparency Nonlinear Optical Crystal with Boracite Structure24Experimental and Ab Initio Studies of Intrinsic Defects in “Antizeolite” Borates with a Ba12(BO3)66+ Framework and Their Influence on Properties16A new acentric borate of Ba2[B5O8(OH)]2[B(OH)3]·H2O: Synthesis, structure and nonlinear optical property4Recent Advances in Oxide‐based Nonlinear Optical Materials with Wide Infrared Transparency Beyond 6 μm38Ba3(BO3)(CO3)F: The First Borate Carbonate Fluoride Synthesized by the High‐Temperature Solution Method19Synthesis, Structure, and Characterization of d0 Transition-Metal Iodate: BaTi(IO3)6·0.5H2O12Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31Noncentrosymmetric K2Mn3(SO4)3F2·4H2O and Rb2Mn3(SO4)3F2·2H2O with pseudo-KTP structures29KSnI 3 ⋅ H 2 O: A New Compound with One‐Dimensional SnI 3 Chains of Pyramidal SnI 5 Polyhedra2AB 11 O 16 (OH) 2 (A = K and Cs): interpenetrating 2D layers with large birefringence7TiO 2 -nanoparticles enhances the structure and optical behaviors of PMMA/glass polymeric films: Kramers-Kroning analysis10Na1.7Li0.3BaZn7(TeO6)3: The first mixed alkali metal and alkaline earth metal zinc tellurate0Borates: A Rich Source for Optical Materials1089Numerical Investigation of High-Purity Entangled Photon-Pair Generation in Ba3Mg3(BO3)3F3 Crystals0Chiral Template‐Driven Macroscopic Chirality Control: Structure‐Second‐Harmonic Generation Properties Relationship24Optical second harmonic generation from plasmonic nanoshells using the nonlocal hydrodynamic model5[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42A new rare-earth borate birefringent crystal with quasi-two-dimensional [BO 3 ] layers23An antimony( iii ) borate with large birefringence exhibiting unwonted [B 5 O 11 ] fundamental building blocks and dimeric [Sb 2 O 6 ] clusters26Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41Deep-ultraviolet transparent alkali metal–rare earth metal sulfate NaY(SO 4 ) 2 ·H 2 O as a nonlinear optical crystal: synthesis and characterization28Efficient proton conductivity of a novel 3D open-framework vanadoborate with [V 6 B 20 ] architectures19K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50Li 5 Cs(SO 4 ) 3 : a potential zero-order wave plate material with short deep-ultraviolet cutoff edge20Recent advances of oxyfluorides for nonlinear optical applications69New Polymorphism for Ba3Zn2(BO3)3F with Two Polymorphs Exhibiting Anomalous Phase Transition2Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation1Synthesis and crystal growth of 2, 3-dimethyl-N-[2-(hydroxy) benzylidene] aniline: An organic second-order non-linear optical crystal for non-linear optical (NLO) applications20Trypan blue stained KAP crystal: A comparative study on morphological, structural, optical, di-/piezo-electric and mechanical properties12[C(NH2)3]3PO4·2H2O: A new metal-free ultraviolet nonlinear optical phosphate with large birefringence and second-harmonic generation response70Second-order nonlinear optical property of the ultraviolet transparent alkali metal-rare earth metal carbonate Na3Y(CO3)3.3H2O5A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations71A Deep‐UV Nonlinear Optical Borosulfate with Incommensurate Modulations13Borosilicate Crystal LaBSiO5: A New Promising Ultraviolet Quasiphase Matching Material31π‑Conjugated Trigonal Planar [C(NH2)3]+ Cationic Group: A Superior Functional Unit for Ultraviolet Nonlinear Optical Materials52UV 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 Phosphate28Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application167Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application18K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material70From Centrosymmetry to Noncentrosymmetry: Tailoring the Structural Arrangements of Carbonates with Strong Nonlinear Optical Response through Partial Anion Substitution33BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation response45Optoelectronic Evaluation, Chemical Potential Identification, Chemiparametric Oscillation Mapping, and Dielectric Efficiency Investigation of Organic NLO Crystal: 2‐Aminofluorene Using Computational Calculations1Two Tellurium(IV)-Based Sulfates Exhibiting Strong Second Harmonic Generation and Moderate Birefringence as Promising Ultraviolet Nonlinear Optical Materials28Li3La2(BO3)3 and Li1.75Na1.25La2(BO3)3: A Great Enhancement in Birefringence Induced by Optimal Arrangement of π-Conjugated [BO3] Units28Investigating the structural morphology, linear/nonlinear optical characteristics of Nd 2 O 3 doped PVA polymeric composite films: Kramers-Kroning approach26Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification89Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification9A Lead Mixed Halide with Three Different Coordinated Anions and Strong Second‐Harmonic Generation Response10An Overview on Recent Trends in Deep‐Ultraviolet (DUV) and Ultraviolet (UV) Nonlinear Optical Crystals25Tailoring the linear/nonlinear optical and visible shielding performance of PVP/PVOH incorporated with NiO nanoparticles for optical devices21Halogen-Ion-Induced Structural Phase Transition Giving a Polymorph of HgBr2 with Balanced Nonlinear Optical Properties8Complex coordinated functional groups: A great genes for nonlinear optical materials64K3BaTeB7O15: A new borotellurite with mixed metal cations5Hybrid organic–inorganic triguanidine arsenate dihydrate for ultraviolet nonlinear optical application15Ba 2 B 5 O 8 (OH) 2 (NO 3 )·3H 2 O: the design of an alkaline earth metal borate-nitrate optimized from a hydroxylic borate4Investigations on the Synthesis, Crystal Structure, Linear- and Nonlinear-Optical Properties of the Zinc Germanate Rb2ZnGe2O627Flux Growth and Properties of Volatile Bromine-Containing UV Nonlinear Optical Crystal K3B6O10Br3A 2 B 6 O 9 F 2 (A = NH 4 , K): new members of A 2 B 6 O 9 F 2 family with deep-UV cutoff edges and moderate birefringence17Ba 2 Zn 2 B 6 O 13 : coplanar [B 2 O 5 ] in unnoted U-shaped [B 6 O 13 ] groups achieving large birefringence6Cs 2 VOF 4 (IO 2 F 2 ): Rationally designing a noncentrosymmetric early-transition-metal fluoroiodate24CsAB 8 O 12 F 2 ·CsI (A = K + , NH 4 + ): design of two fluorooxoborates with benign layered structures via a salt-inclusion strategy28KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency33KPb 3 ( o -C 5 H 4 NCOO) 2 Cl 5 : a brand-new stable lead chloride with good comprehensive nonlinear optical performance5Large optical anisotropy-oriented construction of a carbonate-nitrate chloride compound as a potential ultraviolet birefringent material44Li 7 SrScB 12 O 24 and Li 7 Ba 0.6 Ca 0.4 ScB 12 O 24 : two new quaternary rare-earth borates with short UV cutoff edges4Mg(H 2 O) 6 [(IO 2 (OH)) 2 (IO 3 )] 2 : a new iodate with a very large band gap and optical anisotropy13Na 3 YB 8 O 15 : a new rare-earth borate with an infinite one-dimensional [B 8 O 15 ] ∞ chain and a short ultraviolet cutoff edge8Nb:Mntemoo6: Synthesis, Structure and Second-Order Nonlinear Optical Properties0Sc 2 F 2 (B 2 O 5 ): a deep ultraviolet scandium borate fluoride exhibiting large birefringence induced by the synergistic effect of B 2 O 5 and ScO n F 2 groups38Sn 9O 4Br 9X (X = Cl, Br): Two New Sn(II) Oxyhalides Exhibiting Large Birefringence Derived from Highly Distortive Polyhedra of Lone Pair Cations0Tellurate polymorphs with high-performance nonlinear optical switch property and wide mid-IR transparency19Wide band gap thiophosphates ASrPS 4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation13

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  2. 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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  3. Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations

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  4. Synthesis, Structure, and Properties of the Non-Centrosymmeteric Compound LiNaRbB5O8(OH)2

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  5. Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure

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  16. Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge

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  18. K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal

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  30. Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates

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  31. NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates

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  32. [Ge2S5(S2)]4−, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li2Cs4Ge2S5(S2)Cl2: An Experimental and Theoretical study

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  33. Synthesis, characterization, and theoretical analysis of three new nonlinear optical materials K7MRE2B15O30 (M= Ca and Ba, RE= La and Bi)

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