Experimental and computational analysis of the Linear and Nonlinear optical properties of Magnesium bis-(8-hydroxyquinoline) thin film

The magnesium bis-(8-hydroxyquinoline) (Mgq(2)) was synthesized to investigate its physical properties. The characterization was done for the Mgq(2) in thin films deposited by the PVD technique under pressure about 2 x 10(-5) Torr on glass substrate. The optical properties were studied using transmittance and photo-luminescence spectroscopy. The refractive index was determined using the transmission envelope method and the band gap energy was calculated with the Tauc plot. The morphology of the deposited films was described by the AFM images. Our results show that the thin films present a homogenous morphology. However, the photoluminescence spectra show that the PL intensity decreases with increasing the temperature for the range from 77 K to 300 K. The Non-Linear Optical properties were carried out with Third Harmonic Generation technique at 1064 nm incident beam for two different polarizations. An estimation of the third order nonlinear susceptibility chi((3)) was done by Kubodera and Kobayashi comparative model. The electronic and nonlinear optical properties of Mgq(2) were computed by DFT at B3LYP level. The influence of the energy gap and dipole moment at the nonlinear optical properties was discussed. The calculated theoretical values were found to be in good agreement with the experimental results. We showed that the Mgq(2) is an n-type Semi-Conductor and the ITO/Mgq(2)/TPD/Cu structure has a current-voltage characteristic behavior of an OLED. (C) 2022 Elsevier B.V. All rights reserved.