Abstract
Single crystals of piperazine zirconium oxy-chloride (PzZrOCl) are grown successfully by slow evaporation technique for optoelectronic device applications. The suitability of the material was estimated and reported as follows. For device compatibility crystal habits, purity, crystallite size, microstructure, and bulk crystals structures are essential parameters and hence they were examined with basic characterization techniques. The average dimensions of as-grown crystals are up to $$10 \times 10 \times 7 {\text{mm}}^{3}$$ grown within a period of $$35$$ days. The grown single crystals were subjected to powder X-ray diffraction (XRD) to confirm the crystalline quality. The single crystal X-ray diffraction indicates that the PzZrOCl crystal belongs to the tetragonal system (P), with unit cell parameters $$a = 6.46{{ {\AA}}},{ }b = 12.81{{ {\AA}}}$$ , $$c = 12.85{{ {\AA}}}$$ , $$\alpha = 89.95^\circ$$ , $$\beta = 89.96^\circ ,$$ and $$\gamma = 90.03^\circ$$ . The volume of the unit cell was found to be V = 1063 $${\text{\AA}}^{3} .$$ The analysis on the microstructure of grown single crystals shows layered-like growth pattern. The functional groups of a molecule, their bond vibration frequencies, and mode of alignments have been examined by Fourier-transform infrared spectroscopy (FT-IR). The transmittance (98%) in the entire visible range with lowest cutoff wavelength (215 nm) and green emission (545 nm) are another evidence of suitability for industrial applications. The thermal properties of PzZrOCl single crystals were analyzed from TG–DTA curves and the compound is thermally stable up to $$162\,^{ \circ } {\text{C}}$$ . The mechanical strength hardness, Mayer index, yield strength, and elastic stiffness constant were evaluated. These values indicate that the sample is mechanically strong and belongs to soft category. The laser-induced damage was estimated by using Nd:YAG laser of wavelength 1064 nm and the observed values is three times higher than KDP ands 1.2 times higher than LAPP. The optical nonlinear nature and its efficiency are examined by using Z-scan technique. The analysis is discussed in detail, and the results strongly recommend that PzZrOCl single crystals are suitable for optical and electronic device applications.
Highlights
Non-linear optics (NLO) explains the nonlinear response of frequency, phase and path difference of the incident light, polarization density of non-linear media as a function of higher orders electric field of the light
In this consequence we chose Piperazine as an organic NLO material since it plays an important role as a unit present in the more complex molecules studied in several field [13,14,15]
Crystalline phase, purity and cell parameters were confirmed with powder X-ray diffraction and single crystals X-ray diffraction techniques
Summary
Non-linear optics (NLO) explains the nonlinear response of frequency, phase and path difference of the incident light, polarization density of non-linear media as a function of higher orders electric field of the light. The combined effect gives the research on semiorganics which includes the development in the materials with 1) High nonlinear coefficients, 2) High damage threshold, 3) low angular sensitivity, 4) Low UV cut-off; 5) Crystals can be grown in bulk with optimized conditions and 6) Good mechanical properties It is a new approach for high efficiency where a polarizable organic NLO material is stoichiometrically bonded with an inorganic host material. The piperazine ring is used as a building block for pharmaceuticals [17, 18] and found to be a biologically active compound due to its privileged structure in drug discovery It is an achiral organic weak base with excellent hydrogen bond acceptor nature due to this reason it is capable of yielding both second and third NLO properties. It has been found that some polycationic ligand, including Piperidine and Piperazine rings, exhibit a substantial degree of selective RNA building [20]
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