Theoretical Investigation of Optical Conductivity in Ba [Fe(1-x)Co(x)]2 As2

TL;DR

This paper presents theoretical calculations of optical conductivity in Ba[Fe(1-x)Co(x)]2As2, successfully reproducing experimental features and predicting anisotropy and doping effects using density functional theory.

Contribution

It provides a detailed theoretical analysis of optical properties in Ba[Fe(1-x)Co(x)]2As2, including magnetic and doping effects, with strong agreement to experimental data.

Findings

Reproduces experimental optical conductivity features

Predicts large in-plane anisotropy of magnetic peaks

Analyzes effects of Co doping and magnetic order on plasma frequency

Abstract

We report on theoretical calculations of the optical conductivity of Ba [Fe(1-x)Co(x)]2 As2, as obtained from density functional theory within the full potential LAPW method. A thorough comparison with experiment shows that we are able to reproduce most of the observed experimental features, in particular a magnetic peak located at about 0.2 eV which we ascribe to antiferromagnetic ordered magnetic stripes. We also predict a large in-plane anisotropy of this feature, which agrees very well with measurements on detwinned crystals. The effect of Co doping as well as the dependence of plasma frequency on the magnetic order is also investigated.