Ising Magnetism and Ferroelectricity in Ca3CoMnO6

Hua Wu, T. Burnus, Z. Hu, C. Martin, A. Maignan, J. C. Cezar, A. Tanaka, N. B. Brookes, D. I. Khomskii, and L. H. Tjeng
Phys. Rev. Lett. 102, 026404 – Published 15 January 2009

Abstract

The origin of both the Ising chain magnetism and ferroelectricity in Ca3CoMnO6 is studied by ab initio electronic structure calculations and x-ray absorption spectroscopy. We find that Ca3CoMnO6 has alternate trigonal prismatic Co2+ and octahedral Mn4+ sites in the spin chain. Both the Co2+ and Mn4+ are in the high-spin state. In addition, the Co2+ has a huge orbital moment of 1.7μB which is responsible for the significant Ising magnetism. The centrosymmetric crystal structure known so far is calculated to be unstable with respect to exchange striction in the experimentally observed antiferromagnetic structure for the Ising chain. The calculated inequivalence of the Co-Mn distances accounts for the ferroelectricity.

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  • Received 9 June 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.026404

©2009 American Physical Society

Authors & Affiliations

Hua Wu1, T. Burnus1, Z. Hu1, C. Martin2, A. Maignan2, J. C. Cezar3, A. Tanaka4, N. B. Brookes3, D. I. Khomskii1, and L. H. Tjeng1

  • 1II. Physikalisches Institut, Universität zu Köln, Zülpicher Strasse 77, 50937 Köln, Germany
  • 2Laboratoire CRISMAT, UMR 6508 CNRS ENSICAEN, 14050 Caen, France
  • 3European Synchrotron Radiation Facility, Boîte Postale 220, 38043 Grenoble Cédex, France
  • 4Department of Quantum Matter, ADSM, Hiroshima University, Higashi-Hiroshima 739-8530, Japan

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Issue

Vol. 102, Iss. 2 — 16 January 2009

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