Abstract
The structural and optoelectronic properties of cubic perovskite RbPbF3 are calculated using all electrons full potential linearized augmented plane wave (FP-LAPW) method. The calculated lattice constant is in good agreement with the experimental result. The calculated band structure shows a direct band gap of 3⋅07 eV. The contribution of different bands is analysed from the total and partial density of state curves. We identified hybridization of Pb s, Pb p states with F p states in the valence bonding region. Calculations of the optical spectra, viz., the dielectric function, optical reflectivity, absorption coefficient, real part of optical conductivity, refractive index, extinction coefficient and electron energy loss are performed for the energy range of 0–30 eV. Based on the direct bandgap, as well as other optical properties of the compound, it is predicted that this material is useful for vacuum-ultraviolet-transparent (VUV-transparent) applications.
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.
