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Three-band Hubbard model for Na2IrO3: Topological insulator, zigzag antiferromagnet, and Kitaev-Heisenberg material

Manuel Laubach, Johannes Reuther, Ronny Thomale, and Stephan Rachel
Phys. Rev. B 96, 121110(R) – Published 14 September 2017

Abstract

Na2IrO3 was one of the first materials proposed to feature the Kane-Mele-type topological insulator phase. Contemporaneously it was claimed that the very same material is in a Mott insulating phase which is described by the Kitaev-Heisenberg (KH) model. First experiments indeed revealed Mott insulating behavior in conjunction with antiferromagnetic long-range order. Further refined experiments established antiferromagnetic order of zigzag type which is not captured by the KH model. Since then several extensions and modifications of the KH model were proposed in order to describe the experimental findings. Here we suggest that adding charge fluctuations to the KH model represents an alternative explanation of zigzag antiferromagnetism. Moreover, a phenomenological three-band Hubbard model unifies all the pieces of the puzzle: topological insulator physics for weak and KH model for strong electron-electron interactions as well as a zigzag antiferromagnet at intermediate interaction strength.

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  • Received 21 January 2017
  • Revised 4 July 2017

DOI:https://doi.org/10.1103/PhysRevB.96.121110

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Manuel Laubach1, Johannes Reuther2,3, Ronny Thomale4, and Stephan Rachel1,5,6

  • 1Institut für Theoretische Physik, Technische Universität Dresden, 01062 Dresden, Germany
  • 2Dahlem Center for Complex Quantum Systems and Institut für Theoretische Physik, Freie Universität Berlin, 14195 Berlin, Germany
  • 3Helmholtz-Zentrum Berlin für Materialien und Energie, D-14109 Berlin, Germany
  • 4Institut für Theoretische Physik, Universität Würzburg, 97074 Würzburg, Germany
  • 5Department of Physics, Princeton University, Princeton, New Jersey 08544, USA
  • 6School of Physics, University of Melbourne, Parkville, VIC 3010, Australia

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Issue

Vol. 96, Iss. 12 — 15 September 2017

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