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    Controlled Growth of Layered Acentric CdTeMoO6 Single Crystals with Linear and Nonlinear Optical Properties
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    Abstract:
    Acentric compounds with a layered structure are of current interest owing to their advanced functional properties for technical applications. However, the growth of bulk single crystals of acentric materials with a quasi-two-dimensional structure is challenging, which severely hinders the intrinsic properties investigation and optoelectronic applications of these materials. Herein, we report the controlled growth of bulk CdTeMoO6 single crystals with a layered structure and the investigation of their linear and nonlinear optical properties. High quality CdTeMoO6 single crystals with dimensions of ∼26 × 10 × 9 mm3 were successfully grown through the modified top-seeded solution growth method using TeO2-MoO3 as a flux. The transparent range of CdTeMoO6 single crystals is in the range of 0.345–5.40 μm, and with large birefringence (Δn = no – ne = 0.2868–0.2219 from 514 nm to 1.5467 μm). In addition, the nonlinear optical (NLO) coefficient d36 of CdTeMoO6 single crystals was measured to be 8.5 pm/V using Maker Fringe techniques. We also found CdTeMoO6 is type-I phase-matchable based on the calculated phase-matching curves. Our results indicated that CdTeMoO6 single crystal is an excellent birefringent material combined with a promising NLO material for optoelectronic applications.
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    Acentric factor
    Crystal (programming language)
    Noncentrosymmetry (NCS) is a prerequisite for second-order nonlinear optical (NLO) materials. In this work, a new polycation-substitution-induced centrosymmetry (CS)-to-NCS transformation strategy was applied in CS RbGaS2, affording two novel NCS salt-inclusion chalcogenides: [ABa2Cl][Ga4S8] (A = Rb, 1; Cs, 2). Remarkably, they exhibit the key merits of both Vis and IR NLO candidates, including strong phase-matchable second harmonic generation intensities (10.4-15.3 × KH2PO4 at 1064 nm; 0.9-1.0 × AgGaS2 at 1910 nm), high laser-induced damage thresholds (11-12 × AgGaS2), and a wide transparent window. Their prominent NLO performances originate from the orderly packing of T2-supertetrahedral Ga4S10 motifs resulting from the template effect of acentric polycation [ClA2Ba3]7+. The CS-to-NCS transformation first realized by polycation-substitution-induced NLO-functional motif ordering provides an effective approach for designing new NLO materials.
    Acentric factor
    Substitution (logic)
    Citations (217)
    In this article, artificial neural network group contribution (ANN-GC) method is applied to calculate and estimate critical properties including the critical pressure, temperature, and volume and acentric factors of pure compounds. About 1700 chemical compounds from various chemical families have been investigated to propose a comprehensive and predictive model. Using this dedicated model, we obtain satisfactory results quantified by the following absolute average deviations of the calculated and estimated properties from existing experimental values: 1.1 % for critical pressure, 0.9 % for critical temperature, 1.4 % for critical volume, and 3.7 % for acentric factor.
    Acentric factor
    Group contribution method
    Citations (79)
    Abstract Second order non-linear optical (NLO) effects, such as second harmonic generation, occur only in materials that are acentric. Finding ways to assure that a bulk material is acentric has been a serious hurdle in the design of new organic materials for non-linear optical uses.1 A trivial, albeit useful, solution to the symmetry problem is to use chiral molecules which necessarily crystallize in acentric structures.2 The general solution to the problem involves understanding how to promote self-assembly of molecules, regardless of their molecular symmetry, into acentric arrays. We have found a partial answer to the asymmetric self-assembly question using intermolecular hydrogen bonds.
    Acentric factor
    Citations (37)
    Acentric factor estimation from the corresponding states principle was conducted. The reported values, or analytical expressions, of the functions f(0), f(1) and f(2) are presented. The tabulated values of f(0), f(1) and f(2) by the Brandani relation of the Wagner type of vapor pressure equation are correlated. The estimation procedures are tested on 44 nonpolar substances. The Ambrose and Walton expressions have the best predictive characteristics.
    Acentric factor
    Citations (3)
    The paper analyses the methods of determination and acquire of acentric factor(ω)data, basing on the definition of acentric factor. The recent research progress of the calculating method of acentric factor was reviewed, including vapor pressure equation of corresponding state method, corresponding state group contribution (CSGC) method, Graph Theory and Molecular Topology Method, and their advantages and disadvantages, as well as the latest trend were also discussed.
    Acentric factor
    Factor (programming language)
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