An approach for the calculation of local dielectric properties in nanosized systems on the basis of coupled dipoles method

Abstract

Despite interest in a description of nanoscale systems properties, there is still a lack of methods that can grasp size dependence and variation across the interface of the static dielectric properties. We propose an approach for the calculation of local nanoscopic electric susceptibility and dielectric permittivity tensors in nanosized systems on the basis of the coupled dipoles method. Requiring only the polarizability of individual molecules, this approach allows one to determine the local dielectric properties of arbitrarily shaped nanoparticles as well as (semi)infinite bodies such as bulk material and infinite films, expanding our ability to predict and govern the behavior of nanoscale systems.