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Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery.

ABSTRACT: Deep-ultraviolet (DUV, wavelength λ < 200 nm) nonlinear optical (NLO) crystal is the core component of frequency conversion to generate DUV laser, which plays an important role in cutting-edge laser technology and fundamental science. Significant progress has been made in both experimental exploration and theoretical design in the field of DUV NLO crystals over the past three decades. In-depth insight into "structure-property correlations", in particular, allows for rigorous and precise identification of DUV NLO crystals. In this article, we reviewed the current experimental and theoretical research progress while elucidating the core concepts and stringent criteria of qualified DUV phase-matched second-harmonic generation crystals. We also discussed the development of the DUV NLO "structure-property correlations" from first principles and how it has sparked interest in related materials, as well as future directions for obtaining potential DUV NLO crystals.

SUBMITTER: Kang L

PROVIDER: S-EPMC9249785 | biostudies-literature |

REPOSITORIES: biostudies-literature

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A Cation-Driven Approach toward Deep-Ultraviolet Nonlinear Optical Materials.

Project description:The design of new materials with special performances is still a great challenge, especially for the deep-ultraviolet nonlinear optical materials in which it is difficult to balance large bandgaps and strong second harmonic generation responses due to their inverse relationship. Cation variation not only influences the whole structure frameworks but also directly participates in the formation of electronic structures, both of which could lead to the uncontrollability of the properties of the designed materials. Here, a novel approach, aiming at purposeful and foreseeable material designs, is proposed to characterize the role of cations. By the verification of several series of borates, the influences of cation variation on property changes are explored systematically. Accordingly, a feasible strategy of designing deep-ultraviolet nonlinear optical materials by substituting barium for lead has been concluded, which could obviously blue-shift the ultraviolet cutoff edge and maintain the relatively strong second harmonic generation response (more than 2 times of KH2PO4), achieving the property optimization, and especially works efficiently in fluorooxoborates. The property optimization design strategy and the cation characterization method are not only helpful in exploring nonlinear optical materials but also enlightening in material design and selection.

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Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.

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Two novel nonlinear optical carbonates in the deep-ultraviolet region: KBeCO3F and RbAlCO3F2.

Project description:With the rapid developments of the all-solid-state deep-ultraviolet (deep-UV) lasers, the good nonlinear optical (NLO) crystal applied in this spectral region is currently lacking. Here, we design two novel NLO carbonates KBeCO3F and RbAlCO3F2 from the first-principles theory implemented in the molecular engineering expert system especially for NLO crystals. Both structurally stable crystals possess very large energy band gaps and optical anisotropy, so they would become the very promising deep-UV NLO crystals alternative to KBBF. Recent experimental results on MNCO3F (M = K, Rb, Cs; N = Ca, Sr, Ba) not only confirm our calculations, but also suggest that the synthesis of the KBeCO3F and RbAlCO3F2 crystals is feasible.

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Second-order nonlinear optical imaging of chiral crystals.

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Selective imaging of active pharmaceutical ingredients in powdered blends with common excipients utilizing two-photon excited ultraviolet-fluorescence and ultraviolet-second order nonlinear optical imaging of chiral crystals.

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Anthracene derivatives as broadband nonlinear optical materials: nonlinear absorption and excited-state dynamics analysis.

Project description:Two anthracene derivatives, AN-1 and AN-2, with different π-bridge lengths were designed and synthesized to investigate their optical nonlinearities. The nonlinear absorption (NLA) properties of both derivatives were measured via the femtosecond Z-scan technique with the wavelength range from 532 nm to 800 nm. The reverse saturable absorption (RSA) of both compounds results from two-photon absorption induced excited-state absorption (TPA-ESA). At all wavelengths, the reverse saturable absorption of AN-2 is superior to that of AN-1 due to a better molecular planarity for AN-2. Compared with the results of AN-1, the two-photon absorption coefficient of AN-2 can be increased by nearly 8 times (from 0.182 × 10-2 cm GW-1 for AN-1 to 1.42 × 10-2 cm GW-1 for AN-2) at 600 nm by extending the π-bridge. The evolution of femtosecond transient absorption (TA) spectra reveals the relaxation process from the singlet local excited-state (LES) to charge transfer state (CTS) for both compounds. The results imply that anthracene derivatives may be potential candidates for applications in future laser photonics.

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Nonlinear Optical Properties of Porphyrin, Fullerene and Ferrocene Hybrid Materials.

Project description:In this research, we investigated the second-order nonlinear optical (NLO) properties of multicomponent hybrid materials formed by meso-tetraphenylporphyrin P (both as free base and ZnII complex), carrying in 2 or 2,12 β-pyrrolic position an electron donor ferrocene (Fc), and/or an electron acceptor fullerene (C60) moiety, connected to the porphyrin core via an ethynyl or an ethynylphenyl spacer. We measured the NLO response by the electric-field-induced second-harmonic generation (EFISH) technique in CH2Cl2 solution with a 1907 nm incident wavelength, recording for all the investigated compounds unexpected negative values of μβ1907. Since density functional theory (DFT) calculations evidenced for P-Fc dyads almost null ground state dipole moments and very low values for P-C60 dyads and Fc-P-C60 triads, our EFISH results suggested a significant contribution to γEFISH of the purely electronic cubic term γ(-2ω; ω, ω, 0), which prevails on the quadratic dipolar orientational one μβ(-2ω; ω, ω)/5kT, as confirmed by computational evidence.

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Database on the nonlinear optical properties of graphene based materials.

Project description:The knowledge of optical nonlinearity is pre-requisite for the utility of the nonlinear optical (NLO) materials for optoelectronic device fabrication. Z-scan experimental technique based on the principles of spatial beam distortion, has been successfully employed for years to precisely investigate the NLO parameters. In the field of optical nonlinearity, graphene has proven itself as a strong candidate material owing to the possibility of strong light-matter interactions. A detailed comparison of the NLO properties of graphene and its derivatives (G/GDs) is crucial to identify and accelerate their utility for future flexible optoelectronic device applications. Herein, we share the experimental records of the optical nonlinearity in G/GDs, obtained from the well established Z-scan technique from the available literature, reported in the period from 2009 to 2019 and were extracted from the provided raw data [1]. The data sheet includes material composition, characteristics of the excitation laser source (operating wavelength, laser energy/power/intensity) and the NLO parameters (nonlinear absorption (NLA), nonlinear refraction (NLR), saturation intensity, optical limiting threshold). For practical use, they are tabulated in the present paper and will enable users to search the material data and filter down the set of desired materials using given parameters for their possible optoelectronic device applications. The data is related to the research article entitled "Unraveling absorptive and refractive optical nonlinearities in CVD grown graphene layers transferred onto a foreign quartz substrate" (Agrawal et al., 2019) [2].

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