Czochraski growth, defect analysis and refractive index of Ba2TiGe2O8 crystal with excellent optical nonlinearities

Liu, Xiaofeng; Huo, Lina; Liao, Buyun; Wei, Qingke; Hu, Xiaolin; Zhuang, Naifeng; Chen, Jianzhong; Huang, Lei; Zhang, Ge

doi:10.1016/j.optmat.2015.01.027

Cited by 15 publications

(5 citation statements)

References 28 publications

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“…Liu et al reported the single crystal growth of Ba 2 TiGe 2 O 8 using the Czochraski method. 60 The measurement of as-grown Ba 2 TiGe 2 O 8 shows a short UV cutoff edge around 300 nm and has a high transmittance in the wavelength range of 500−3000 nm. The PSHG test shows that it cannot achieve PM of 1064−532 nm because of small birefringence.…”

Section: T H I S C O N T E N T Imentioning

confidence: 99%

“…The experimental value of each tensor could be measured using a single crystal. Liu et al reported the single crystal growth of Ba 2 TiGe 2 O 8 using the Czochraski method . The measurement of as-grown Ba 2 TiGe 2 O 8 shows a short UV cutoff edge around 300 nm and has a high transmittance in the wavelength range of 500–3000 nm.…”

Section: Experimental Verificationmentioning

confidence: 99%

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Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification

Zhang

et al. 2020

ACS Appl. Mater. Interfaces

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Owing to wide infrared (IR) transparency ranges, high laser damage thresholds, and being easy to grow in open air, germanates are emerging as promising mid-infrared (mid-IR) nonlinear optical (NLO) materials. However, the germanates as NLO materials have not been investigated comprehensively and the crystals with large second harmonic generation (SHG) response have not been identified. Herein, we used the firstprinciples high-throughput screening pipeline for NLO materials to search for excellent NLO crystals from germanates collected in the inorganic crystal structure database. After two steps of screening, three crystals are picked out from 128 structures based on their predicted energy gaps, birefringences, and SHG coefficients. Subsequently, the three germanates are synthesized and measured. The results show that Pb 3 Ga 2 Ge 4 O 14 and Ba 2 TiGe 2 O 8 exhibit a wide energy gap (>3.1 eV) and a strong phase-matchable SHG intensity that are comparable to the benchmark AgGaS 2 (0.8 and 1.2 × AgGaS 2 , respectively). In addition, the statistical analyses of different categories classified according to their cations show that the d 0 -transition metal and lone pair cations are more conducive to achieving a larger SHG response and birefringence compared to other cations in germanates. It gives a guideline for exploring new mid-IR NLO materials.

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Section: T H I S C O N T E N T Imentioning

confidence: 99%

Section: Experimental Verificationmentioning

confidence: 99%

Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification

Zhang

et al. 2020

ACS Appl. Mater. Interfaces

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show abstract

“…into silicates/germanates would be more likely to yield acentric structures . Among the copious acentric compounds reported, several nonlinear-optical (NLO) crystals have been found, including KTP derivatives ABOMO 4 (A = Na, K, Rb, Ag, Tl; B = Sb, Ta; M = Si, Ge), fresnoite-type Ba 2 TiM 2 O 8 (M = Si, Ge), , rippite-type K 2 (NbO) 2 Si 4 O 12 , , langasite series, and A 4 Li 2 TiOM 4 O 12 (A = K, Rb; M = Si, Ge). − Among them, germanate NLO crystals have received much attention because of their large band gaps and wide infrared (IR) transparency range. For example, a Rb 4 Li 2 TiGe 4 O 13 crystal exhibits a high laser-induced damage threshold of about twice that of KTP, a long IR cutoff wavelength of 5.58 μm, and suitable physicochemical properties.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Structure Determination, and Characterizations of a Polar Salt-Inclusion Scandium Germanate, Rb₁₀Li₃Sc₄Ge₁₂O₃₆F

Tang

Xia

2022

Inorg. Chem.

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A noncentrosymmetric salt-inclusion germanate, Rb10Li3Sc4Ge12O36F, was grown through spontaneous crystallization from a LiF–RbF flux. It crystallizes in the polar space group P31c with cell parameters of a = 10.7587(3) Å, c = 21.6691(10) Å, and Z = 2. Its structure features a complex 3D framework composed of helical [Ge4O12] chains from condensed [GeO4] tetrahedra running along the c axis, which are interconnected by the [ScO6] octahedra. Voids of the 3D net are filled with Rb+ ions, Li+ ions, and isolated trigonal-bipyramidal [Rb3Li2F] superalkali clusters. The title compound has a large band gap of 5.6 eV, a moderate powder second-harmonic-generation response of 0.9KDP, and an extremely small birefringence of 0.001, as was further unraveled by theoretical calculations.

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“…82,83 While water is the main component in an aqueous solution, silicate glasses typically contain 0.35 mol % H 2 O. 68 Nevertheless, the water present is not incorporated into the crystals during growth 84 and hence it is enriched in the residual glass melt. This should preferably occur near the growth front or, however, at the immediate surface and hence may easily explain the origin of hydroxyl groups at the corners of the polyhedra.…”

Section: Growth Mechanismmentioning

confidence: 99%

How Can Surface-Crystallized Glass-Ceramics Be Piezoelectric?

Rüssel

Wisniewski

2021

Crystal Growth & Design

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The surface crystallization of non-ferroelectric, polar crystals from a glass often leads to piezoelectric surface layers. The surface layer not only shows a crystallographic orientation preference (texture) but also prefers one polarity during crystal growth. This cannot be explained by the common periodic bond chain theory or Bravais–Friedel–Donnay–Harker law. For the most frequently studied polar crystals in glass-ceramics, fresnoites of the general composition (Ba/Sr)2Ti(Si/Ge)2O7 or lithium disilicate (Li2Si2O7), the dipoles are, respectively, aligned antiparallel or parallel to the dominant growth direction after crystallization. Hence, the polarity of the crystals cannot be the decisive factor for texture development. Taking the structure of the respective unit cells into account shows that these crystals grow with the corners of coordination polyhedra oriented toward the bulk. This is in agreement with the coordination polyhedra rule, according to which crystal growth along the direction of polyhedral corners should be preferred while the edges show the second-highest growth rate. Furthermore, the planes parallel to the face of the coordination polyhedron undergo the slowest growth.

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Czochraski growth, defect analysis and refractive index of Ba2TiGe2O8 crystal with excellent optical nonlinearities

Cited by 15 publications

References 28 publications

Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification

Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification

Synthesis, Structure Determination, and Characterizations of a Polar Salt-Inclusion Scandium Germanate, Rb₁₀Li₃Sc₄Ge₁₂O₃₆F

How Can Surface-Crystallized Glass-Ceramics Be Piezoelectric?

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Czochraski growth, defect analysis and refractive index of Ba2TiGe2O8 crystal with excellent optical nonlinearities

Cited by 15 publications

References 28 publications

Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification

Finding Optimal Mid-Infrared Nonlinear Optical Materials in Germanates by First-Principles High-Throughput Screening and Experimental Verification

Synthesis, Structure Determination, and Characterizations of a Polar Salt-Inclusion Scandium Germanate, Rb10Li3Sc4Ge12O36F

How Can Surface-Crystallized Glass-Ceramics Be Piezoelectric?

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Synthesis, Structure Determination, and Characterizations of a Polar Salt-Inclusion Scandium Germanate, Rb₁₀Li₃Sc₄Ge₁₂O₃₆F