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Synthesis, growth, structural, physicochemical, linear and nonlinear optical properties of new hybrid [(Ba(C10H20O5)2)· (Mn (SCN)4)] single crystal

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Abstract

A novel nonlinear optical single crystal of barium (II) 15-crown-5-ether manganese (II)-tetra-thiocyanate (Ba(C10H20O5)2)· (Mn(SCN)4); (BBCMTC) has been grown in a period of 15–20 days by slow evaporation solvent technique with the dimension of 10 × 5 × 2 mm3.Single crystal X-ray diffraction shows BBCMTC crystallizes in orthorhombic crystal system with space group Pnma. In Powder X-Ray diffraction, the hkl plane orientations reveal the phase identification of the grown crystal. The estimated lattice parameters (a = 15.9102 Å, b = 12.6164 Å, c = 18.3959 Å, α = β = γ = 90° and V = 3696.26 Å3) are well-matched in both powder and single crystal XRD. Spectroscopic analysis of FTIR and micro-Raman confirmed the existence of C–N stretching of SCN, C–C stretching of ring, metal–nitrogen bonding and Ba–O groups. BBCMTC possess lower cut-off wavelength of 287 nm and wide optical band gap of 4.1 eV. FE-SEM and optical microscopic studies revealed the presence of voids on the surface of grown crystal and reverse growth rate facets. TG–DTA and DSC measurements revealed that the crystalline compound has better thermal stability (382 °C) than other inorganic–organic crystalline compounds such as CLTC (171 °C) and ACCTC (247 °C). Vickers’s hardness test shows the material belongs to soft materials category (n = 3). Variation of dielectric constant and dielectric loss with frequency and temperature was analyzed. Furthermore, dielectric solid-state parameters such as valence electron plasma energy (ħ \(\omega_{P}\)), Penn gap (EP), Fermi energy (EF), and electronic polarizability (α) were calculated. The third-order nonlinear optical coefficients such as nonlinear refractive index (n2 = 7.86 × 10− 8 cm2W− 1), nonlinear absorption coefficient (β = 4.50 × 10− 3 cmW− 1) and nonlinear optical susceptibility (χ3 = 11.55 × 10− 5 esu) obtained from Z-scan studies under 785 nm excitation. Therefore, BBCMTC single crystal with higher thermal stability and third-order NLO coefficient finds potential applications in optoelectronics and optical switching device fabrications.

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Acknowledgements

The authors are grateful thanks to SRM Institute of science and technology (Deemed University), Kattankulathur, Chengalpattu Dist, Tamilnadu, India provided major instrumentation speciality SRM-NRC, and micro-Raman SRM-SCIF.

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Authors and Affiliations

  1. Department of Physics and Nanotechonolgy, SRM Institute of Science and Technology, Kattankulathur, Tamil Nadu, 603 203, India

    V. Ravisankar, V. Ramesh & B. Gunasekaran

  2. Nanophotonics Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli, Tamil Nadu, 620 024, India

    T. C. Sabari Girisun

  3. Department of Chemistry, Rajalakshmi Institute of Technology, Kuthambakkam, Chennai, 600124, India

    D. V. Sridevi

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Ravisankar, V., Ramesh, V., Girisun, T.C.S. et al. Synthesis, growth, structural, physicochemical, linear and nonlinear optical properties of new hybrid [(Ba(C10H20O5)2)· (Mn (SCN)4)] single crystal. Appl. Phys. A 127, 885 (2021). https://doi.org/10.1007/s00339-021-05046-y

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