Calculations of Optical Properties in Strongly Correlated Materials

TL;DR

This paper introduces a novel computational method combining dynamical mean field theory with density functional calculations to accurately determine optical properties of strongly correlated materials, exemplified by La_{1-x}Sr_xTiO_3.

Contribution

A new, numerically feasible approach for calculating optical properties in strongly correlated systems using realistic electronic structures.

Findings

Successfully computed optical properties of La_{1-x}Sr_xTiO_3

Method correctly reproduces non-interacting limit

Provides a practical tool for studying correlated materials

Abstract

We present a new method to calculate optical properties of strongly correlated systems. It is based on dynamical mean field theory and it uses as an input realistic electronic structure obtained by local density functional calculations. Numerically tractable equations for optical conductivity, which show a correct non-interacting limit, are derived. Illustration of the method is given by computing optical properties of the doped Mott insulator La_{1-x}Sr_xTiO_3.