Abstract
Rubidium fluoroiodate has been reported to be a potential mid-infrared nonlinear optical material, due to its second harmonic generation (SHG) and Laser damage threshold value of 156 MW/cm2. In this study, the linear and nonlinear optical properties are investigated and analyzed using the density functional theory by full potential linearized augmented plane wave (FP-LAPW) and plane wave pseudo-potential (PP-PW). The FP-LAPW method is used to study the electronic properties and linear optical properties with the recently developed density functional of Tran and Blaha. Furthermore, optical features such as dielectric functions, absorption coefficient, refractive index, reflectivity, electron energy loss function are calculated for photon energies up to 40 eV. The elasticity, SHG response, linear electro-optical effect, and piezoelectricity are studied by the PP-PW approximation. Based on the semi-empirical relations, the Young's modulus, shear and bulk modulus, Poisson's ratio, anisotropic factors, sound velocities, Debye temperature, and hardness have been determined.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
