Theoretical investigation of optical conductivity in Ba(Fe1xCox)2As2

A. Sanna, F. Bernardini, G. Profeta, S. Sharma, J. K. Dewhurst, A. Lucarelli, L. Degiorgi, E. K. U. Gross, and S. Massidda
Phys. Rev. B 83, 054502 – Published 4 February 2011

Abstract

We report on theoretical calculations of the optical conductivity of Ba(Fe1xCox)2As2, as obtained from density functional theory within the full-potential linear augmented plane-wave 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.

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  • Received 1 October 2010

DOI:https://doi.org/10.1103/PhysRevB.83.054502

©2011 American Physical Society

Authors & Affiliations

A. Sanna1, F. Bernardini2, G. Profeta3, S. Sharma1, J. K. Dewhurst1, A. Lucarelli4, L. Degiorgi4, E. K. U. Gross1, and S. Massidda2

  • 1Max-Planck Institute of Microstructure Physics, Weinberg 2, DE-06120 Halle, Germany
  • 2Dipartimento di Fisica, Universitá degli Studi di Cagliari, IT-09042 Monserrato, Italy
  • 3CNISM-Dipartimento di Fisica, Universitá degli studi de L’Aquila, Via Vetoio 10, IT-67010 Coppito, Italy
  • 4Laboratorium für Festkörperphysik, ETH - Zürich, CH-8093 Zürich, Switzerland

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Issue

Vol. 83, Iss. 5 — 1 February 2011

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