Experimental and computational studies on third-order urea salicylic acid single crystal for optoelectronic device appli
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Experimental and computational studies on third-order urea salicylic acid single crystal for optoelectronic device applications A. Suresh1, RO. MU. Jauhar1, N. Manikandan1, T. C. Sabari Girisun2, and G. Vinitha1,*
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Division of Physics, School of Advanced Sciences, Vellore Institute of Technology, Chennai 600127, India Nanophotonics Laboratory, School of Physics, Bharathidasan University, Tiruchirappalli 620 024, India
Received: 14 May 2020
ABSTRACT
Accepted: 21 August 2020
Slow evaporation solution growth technique was adopted to grow good quality urea salicylic acid (USA) single crystals. Single-crystal X-ray diffraction confirmed their cell parameters and corresponding space group. Density functional theory (DFT) calculation was utilized to assess the frontier molecular orbital (FMO) and natural bonding orbitals (NBO) of the USA compound. Theoretically calculated bandgap energy was slightly different from the measured value of 3.49 eV and is utilized in understanding the charge transfer taking place in the molecule. The sample showed a lower cutoff wavelength of 350 nm. FTIR confirmed the presence of relevant functional groups and was found to be thermally stable up to 117 °C. The specific heat capacity of the title compound was found to be 1.28 J/kg/K at 30 °C. Laser damage threshold energy of USA crystal was found to be 1.37 GW/cm2. The electrical behaviour of the crystal was analysed from dielectric measurements. The mechanical stability revealed that the title compound is a soft material. Third-order nonlinear optical property of USA compound was analysed using standard Z-scan technique, which showed better characteristics compared to various reported comparable crystals.
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Springer Science+Business
Media, LLC, part of Springer Nature 2020
1 Introduction Need for various improved devices in the field of optics and electro-optics has led to a search for good quality crystalline materials exhibiting these properties. In this context, organic materials with their higher electronic susceptibility and nonlinear optical properties have found wide usage in the fields of
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https://doi.org/10.1007/s10854-020-04315-5
optical bistability, telecommunication, high-power lasers, optical data storage, optical signal processing, optical computing, optical limiting, optical switching, wave mixing, etc. [1–6]. Urea ((NH2)2CO) is one such organic nonlinear optical (NLO) material, belonging to the tetragonal crystal system with a space group of P421 m that has found utilization in the visible region. Urea exhibits
J Mater Sci: Mater Electron
enhanced optical properties with transparency up to 80%, good optical damage threshold, larger nonlinear optical coefficients and birefringence. Urea can be phase matched to 5th harmonic (k = 212.8 nm) of the Nd:YAG laser [7]. Hygroscopic nature of these urea crystals make them difficult to be grown in larger sizes and are profound to be affected by crystal surface degradation, laser radiation damage, bulk imperfections,
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