Electro-optic characteristics investigation on NLO crystal; L-Valine doped Ethylene Diamine Tetra Acetate (EDTA) composite crystal using quantum chemical calculations

Abstract

In this research work, the attempt was made to fabricate efficient NLO crystal using organic composite; L-Valine doped Ethylene Diamine Tetra Acetate (EDTA). The observed XRD peaks intimate the crystal lattice as orthorhombic and respective lattice characteristics were studied. The unit cell was calculated as a = 5.811 Å, b = 11.735 Å and c = 5.014 Å and the respective refractive indices determined to be 1.547, 1.789 and 1.610. The Birefringence (Δn) Kλ/t is found to be 0.271 and the corresponding NLO efficiency calculated to be 0.846 [I/I(SiO2)]. The compositional parts activity was keenly observed from their vibrational modes and their space charge and oriental polarization characteristics were studied and thereby dielectric susceptibility for inducing NLO activity was presented. The chemical shift for both experimental and theoretical analysis was observed and the storage of chemical potential among core C was measured. The band gap and transparency for IR and UV-Visible region estimated and the wide range for both confirmed the dielectric reactance for optical energy. The DTA-DSC curve was traced and the thermal stability and Gibbs free energy profile was studied. The SEM images recorded and the surface morphology was displayed for knowing the molecular coordination arrangement. The chemi-potential energy exchange was measured for different molecular entities for non bonding system of bonded composite.