Ba3M2[B3O6(OH)]2[B4O7(OH)2] (M=Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters

Cheng, Lin; Wei, Qi; Wu, Han‐Qing; Zhou, Liujiang; Yang, Guo‐Yu

doi:10.1002/chem.201303088

Cited by 112 publications

(61 citation statements)

References 46 publications

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“…Recently, numerous famous NLO crystals have been discovered and have effectively solved the generation of UV-visible light [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22]. However, for the mid-far infrared (IR) region (3-20 µm), outstanding IR NLO materials have been discovered less, and only a few (chalcopyrites AgGaS 2 , AgGaSe 2 , and ZnGeP 2 ) have been commercially applied [23][24][25].…”

Section: Introductionmentioning

confidence: 99%

A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS7

Zhen

Nian

et al. 2016

Crystals

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A series of new infrared nonlinear optical (IR NLO) materials, LiRe 3 MS 7 (Re = Sm, Gd; M = Si, Ge), have been successfully synthesized in vacuum-sealed silica tubes via a high-temperature solid-state method. All of them crystallize in the non-centrosymmetric space group P6 3 of the hexagonal system. In their structures, LiS 6 octahedra connect with each other by sharing common faces to form infinite isolated one-dimensional ∞ [LiS 3 ] n chains along the 6 3 axis. ReS 8 polyhedra share edges and corners to construct a three-dimensional tunnel structure with ∞ [LiS 3 ] n chains located inside. Remarkably, LiSm 3 SiS 7 shows promising potential as one new IR NLO candidate, including a wide IR transparent region (0.44-21 µm), a high laser damage threshold (LDT) (3.7 × benchmark AgGaS 2 ), and a good NLO response (1.5 × AgGaS 2 ) at a particle size between 88 µm and 105 µm. Dipole-moment calculation was also used to analyze the origin of NLO responses for title compounds.

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Section: Introductionmentioning

confidence: 99%

A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS7

Zhen

Nian

et al. 2016

Crystals

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“…Borates have attracted much attention from material scientists and chemists, which can be attributed to their outstanding linear and nonlinear optical (NLO), piezoelectric, luminescent and other functional properties for technical applications [1][2][3][4][5][6][7][8]. In the series of borate materials [9][10][11][12][13][14], K[B 5 O 6 (OH) 4 ] .…”

Section: Introductionmentioning

confidence: 99%

“…In the series of borate materials [9][10][11][12][13][14], K[B 5 O 6 (OH) 4 ] . 2H 2 O (KB5) was the first borate NLO crystal described for ultraviolet (UV) light generation [15].…”

Section: Introductionmentioning

confidence: 99%

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Linear optical and thermo-physical properties of polar K3B6O10Cl crystal

Yang

et al. 2015

Journal of Materiomics

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The crystal of K 3 B 6 O 10 Cl with sizes up to 35 mm × 35 mm × 11 mm was successfully grown by TSSG method. The preliminary measurements for linear, NLO optical and other functional properties have also been studied on the grown crystals. K 3 B 6 O 10 Cl is a potential UV NLO material for direct FHG of the 1112 nm laser.Abstract: Single crystal of K 3 B 6 O 10 Cl with size of 35 mm × 35 mm × 11 mm was grown by the TSSG method for the first time. In the crystal growth process, the cooling rate, the rotating speed and seed direction have been investigated. Based on the measurement of refractive-index from UV to NIR region, the limit of type-I phase matching second harmonic generation wavelength was calculated to be 272 nm, which is a little shorter than that of LiB 3 O 5 (277 nm). Thermal properties including specific heat, thermal diffusion and thermal conductivity were performed on the crystal. In addition, polarization measurements demonstrate that although K 3 B 6 O 10 Cl is polar, the material is not ferroelectric.

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“…[10,11] More challenges are that some of these properties are contradictory.S pecifically,S HG coefficients are inversely proportional to the band gap as shown in the sum-over-states formula. [13][14][15][16][17][18][19] To address the challenge,KBe 2 BO 3 F 2 (KBBF) [20] and Sr 2 Be 2 B 2 O 7 (SBBO) [21] are two outstanding available DUV NLO crystal, but the high toxicity and difficult in growing crystals seriously hinder their commercialization. [13][14][15][16][17][18][19] To address the challenge,KBe 2 BO 3 F 2 (KBBF) [20] and Sr 2 Be 2 B 2 O 7 (SBBO) [21] are two outstanding available DUV NLO crystal, but the high toxicity and difficult in growing crystals seriously hinder their commercialization.…”

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confidence: 99%

Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO₃/BO₃F Ratio in Layers

et al. 2019

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Fluorooxoborates have inspired investigations of deep-ultraviolet (DUV) nonlinear optical (NLO) materials that can meet the multiple criteria. Herein, five stable structures with the composition of BaB 2 O 3 F 2 (I-V) are discoveredusing the ab initio evolutionary algorithm. Among them, BaB 2 O 3 F 2 -I has been synthesized experimentally and confirms the reliability of the method. All of the predicted structures possess extremely wide band gaps (8.1-9.0 eV). Moreover,f our new structures exhibit giant second harmonic generation (SHG) coefficients (> 3 KDP,d 36 = 0.39 pm V À1 ). Anovel type of the [BOF] layer with BO 3 :BO 3 Fr atio of [1:1] is found F 2 -V are solely composed of the BO 3 Fg roup and have colossal SHG coefficients (ca. 4 KDP). It gives the direct evidence that the BO 3 Fg roup could generate strong SHG effect. Most importantly,t he influences of BO 3 :BO 3 F ratio and their number density on band gap,birefringence and SHG effects are investigated.Deep-ultraviolet (DUV, l 200 nm) nonlinear optical (NLO) crystals are unique materials that are capable of generating DUV coherent light through frequency conversion in all-solid-state lasers,c onsequently they are in demand. [1][2][3][4][5][6][7][8][9] However,t he DUV NLO materials are still scarce because they have strict property criteria:w ide transparencyw indow in the UV region (< 200 nm);l arge second harmonic generation (SHG) coefficient (> 1 d 36 (KDP) = 0.39 pm V À1 ); sufficient birefringence to ensure the phase-matching (PM) to DUV region. [10,11] More challenges are that some of these properties are contradictory.S pecifically,S HG coefficients are inversely proportional to the band gap as shown in the sum-over-states formula. [12] Birefringence is also inversely proportional to the band gap.T he multiple criteria and inherent contradictions make exploring DUV NLO materials asevere challenge. [13][14][15][16][17][18][19] To address the challenge,KBe 2 BO 3 F 2 (KBBF) [20] and Sr 2 Be 2 B 2 O 7 (SBBO) [21] are two outstanding available DUV NLO crystal, but the high toxicity and difficult in growing crystals seriously hinder their commercialization. Therefore,itisstill agreat challenge to discover other borates for the DUV region. [11] Recently,w eh ave proposed ab eryllium-free material design and synthesis strategy for DUV NLO materials that introducing (BO x F 4Àx ) (x+1)À (x = 1, 2, 3) (referred to hereafter simply as [BOF]) functional building units (FBUs) into borates could obtain short UV cutoff edge with large birefringence and simultaneously extraordinary SHG effects. [22] The[ BOF] groups are identified as superiority FBUs for bottom-up approaches to design DUV NLO material. Thes trategy has enkindled further investigations of fluorooxoborates as NLO materials that can meet multiple criteria and are promising for applications in DUV region. Under the guidance of this strategy,aseries of new fluorooxoborates with layered structures,s uch as NH 4 B 4 O 6 F, [23] CsB 4 O 6 F, [24] RbB 4 O 6 F, [25] NaB 4 O 6 F [26] and alkaline-earth f...

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Ba₃M₂[B₃O₆(OH)]₂[B₄O₇(OH)₂] (M=Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters

Cited by 112 publications

References 46 publications

A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS7

A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS7

Linear optical and thermo-physical properties of polar K3B6O10Cl crystal

Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO₃/BO₃F Ratio in Layers

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Ba3M2[B3O6(OH)]2[B4O7(OH)2] (M=Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters

Cited by 112 publications

References 46 publications

A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS7

A High Laser Damage Threshold and a Good Second-Harmonic Generation Response in a New Infrared NLO Material: LiSm3SiS7

Linear optical and thermo-physical properties of polar K3B6O10Cl crystal

Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO3/BO3F Ratio in Layers

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Ba₃M₂[B₃O₆(OH)]₂[B₄O₇(OH)₂] (M=Al, Ga): Two Novel UV Nonlinear Optical Metal Borates Containing Two Types of Oxoboron Clusters

Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO₃/BO₃F Ratio in Layers