Magnetic model for A2CuP2O7 (A=Na, Li): One-dimensional versus two-dimensional behavior

S. Lebernegg, A. A. Tsirlin, O. Janson, R. Nath, J. Sichelschmidt, Yu. Skourski, G. Amthauer, and H. Rosner
Phys. Rev. B 84, 174436 – Published 28 November 2011

Abstract

We report magnetization measurements, full-potential band-structure calculations, and microscopic modeling for the spin-1/2 Heisenberg magnets A2CuP2O7 (A=Na, Li) involving complex Cu-O-O-Cu superexchange pathways. Based on a quantitative evaluation of the leading exchange integrals and the subsequent quantum Monte Carlo simulations, we propose a quasi-one-dimensional magnetic model for both compounds, in contrast to earlier studies that conjectured on a two-dimensional scenario. The one-dimensional nature of A2CuP2O7 is unambiguously verified by magnetization isotherms measured in fields up to 50 T. The saturation fields of about 40 T for both Li and Na compounds are in excellent agreement with the intrachain exchange J127 K extracted from the magnetic susceptibility data. The proposed magnetic structure entails spin chains with the dominating antiferromagnetic nearest-neighbor interaction J1 and two inequivalent, nonfrustrated antiferromagnetic interchain couplings of about 0.01J1 each. A possible long-range magnetic ordering is discussed in comparison with the available experimental information.

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  • Received 15 August 2011
  • Corrected 29 November 2011

DOI:https://doi.org/10.1103/PhysRevB.84.174436

©2011 American Physical Society

Erratum

Publisher's Note: Magnetic model for A2CuP2O7 (A = Na, Li): One-dimensional versus two-dimensional behavior [Phys. Rev. B 84, 174436 (2011)]

S. Lebernegg, A. A. Tsirlin, O. Janson, R. Nath, J. Sichelschmidt, Yu. Skourski, G. Amthauer, and H. Rosner
Phys. Rev. B 84, 219901 (2011)

Authors & Affiliations

S. Lebernegg1, A. A. Tsirlin2,*, O. Janson2, R. Nath2,3, J. Sichelschmidt2, Yu. Skourski4, G. Amthauer1, and H. Rosner2,†

  • 1Department of Materials Engineering and Physics, Universität Salzburg, AU-5020 Salzburg, Austria
  • 2Max Planck Institute for Chemical Physics of Solids, DE-01187 Dresden, Germany
  • 3School of Physics, Indian Institute of Science Education and Research, Trivandrum-695016 Kerala, India
  • 4Dresden High Magnetic Field Laboratory, Helmholtz-Zentrum Dresden-Rossendorf, DE-01314 Dresden, Germany

  • *altsirlin@gmail.com
  • rosner@cpfs.mpg.de

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Vol. 84, Iss. 17 — 1 November 2011

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