Indications of weak electronic correlations in SrRuO3 from first-principles calculations

C. Etz, I. V. Maznichenko, D. Böttcher, J. Henk, A. N. Yaresko, W. Hergert, I. I. Mazin, I. Mertig, and A. Ernst
Phys. Rev. B 86, 064441 – Published 30 August 2012

Abstract

We provide, by a detailed first-principles investigation, evidence for weak electronic correlations in SrRuO3. The magnetism in SrRuO3, in terms of the equilibrium magnetization and critical temperature, is well described by the generalized gradient approximation. Including Hubbard-type correlations results in worse agreement with experiment.

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  • Received 15 May 2012

DOI:https://doi.org/10.1103/PhysRevB.86.064441

©2012 American Physical Society

Authors & Affiliations

C. Etz1,2, I. V. Maznichenko3, D. Böttcher1, J. Henk3, A. N. Yaresko4, W. Hergert3, I. I. Mazin5, I. Mertig1,3, and A. Ernst1

  • 1Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany
  • 2Department of Physics and Astronomy, Uppsala University, Box 516, S-75120 Uppsala, Sweden
  • 3Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, D-06099 Halle, Germany
  • 4Max-Planck-Institut für Festkörperforschung, Heisenberg Strasse 1, D-70569 Stuttgart, Germany
  • 5Code 6393, Naval Research Laboratory, 4555 Overlook Ave. SW, Washington, District of Columbia 22031, USA

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Issue

Vol. 86, Iss. 6 — 1 August 2012

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