Investigation of electronic and optical properties of Silver by using Density Functional theory with PBE and WC functional

摘要

In this research the electronic and optical properties of Silver such as the real andimaginary part of dielectric function, optical conductivity, energy loss function,extinction coefficient and band structure are calculated. The calculations are done inthe framework of Density Functional theory by using Linearized Augmented PlaneWave (LAPW) method and the Generalized Gradient Approximation (GGA). Forcalculations we used PBE and WC functional that it is corrected version of basicPBE functional. The aim of this work is to compare difference between two PBEand WC functional on electronic and optical properties of silver. Calculated resultsare in good agreement with previous experimental results.