The effect of fluorine doping on the improvement of optical properties of lithium oxide

Abstract

The field of optical properties encompasses a wide range of phenomena that offer insights into the interaction between light and matter. Understanding and manipulating these properties are essential for various technological applications, including optics, photonics, telecommunications, and advanced material design. In this research, the impact of fluorine doping on the optical properties of lithium oxide was explored using Density Functional Theory (DFT) calculations. DFT is a widely employed computational method in materials science, solid-state physics, and quantum chemistry for studying the electronic structure and properties of materials. It provides an efficient approach to calculate optical properties, facilitating predictions without extensive experimental measurements. The study involves analyzing the real and imaginary parts of the dielectric function, as well as absorption, transmission, and reflection behaviors of the novel fluorine-doped lithium oxide configuration. The optical properties of both pristine and doped Li2O were examined, leading to a comprehensive understanding of the material's characteristics. The resulting spectra exhibited distinctive peaks and valleys, providing valuable insights into the material's energy levels and electronic structure. Doping lithium oxide with fluorine enhanced the absorption power from 140 to 190 in the UV range, making it a promising candidate for applications in optics, photonics, and UV light protection.