Abstract

The present study is designed to simulate and study the production of single crystals of semi-organic non-linear optical Glycine Sodium Nitrate (GSN) by using hyper6 software and experimentally by slow evaporation technique. This work has investigated the molecular properties of the crystals using the density functional theory to obtain the infrared spectrum of the crystal by simulation. The FTIR investigation of growing crystal has shown that the spectrum of the GSN crystal compared to simulation evaluation is similar; the only difference is in the range of 1.9% to 2.75% of wavelength peak values. The ultraviolet experimental measurement of the GSN molecule reveals the possibility of non-linear properties due to the spectrum cutoff in the wavelength peak of 301 nm. There was a significantly positive correlation between simulation and experimental assessment.

Highlights

  • Attention has been focused on a variety of approaches of non-linear optical material interaction of electromagnetic radiation needed for spectroscopy of visible light, infrared, and ultraviolet radiation spectra [1]

  • The Fourier transform infrared (FTIR) investigation of growing crystal has shown that the spectrum of the Glycine Sodium Nitrate (GSN) crystal compared to simulation evaluation is similar; the only difference is in the range of 1.9% to 2.75% of wavelength peak values

  • The simulation method used to investigate the molecular structure of glycine sodium nitrate forms a crystal is a well-established approach in second harmonic generation crystals

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Summary

Introduction

Attention has been focused on a variety of approaches of non-linear optical material interaction of electromagnetic radiation needed for spectroscopy of visible light, infrared, and ultraviolet radiation spectra [1]. The glycine sodium nitrate (GSN) crystal of second harmonic generation phenomena and laser photons formed by the interaction with non-linear material effectively joint to produce twice the photon energy, frequency, and half the wavelength [2]. Sodium glycine nitrate is a semi-organic compound that has a crystalline feature of the mechanical, electrical, and optical properties transformed with doped materials [3]. The second harmonic generation behavior of GSN crystal is produced by the high energy of the laser and non-linearity of an optical property of material due to the characteristics of the wavelength and refractive index of the material under search. The physical and chemical characteristics with the number of electrons in the orbits of sodium nitrate (NaNO3) and glycine (C2H2NO2) are forming two refractive indices of the semi-organic compound, which enhances the nonlinear optical properties of the crystal. The Maxwell equations in differential form can be used to define the nonlinear behavior of the crystal

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