<i>Ab Initio</i> Calculations of Dielectric Function of Bimetallic Linear Atomic Chains of Au-Pd

Abstract

The electronic and optical properties of bimetallic single atomic linear chains of Au-Pd have been investigated within Density functional theory frame work. Dielectric matrix has been computed within random phase approximation for atomic chains with different compositions. The results of bimetallic atomic chains of Au-Pd are compared with the pristine Au and Pd atomic chains. It has been found that doping the pristine chains affects the real and imaginary part of dielectric function which is greatly dependent on the composition of bimetallic chains.