Symmetry-breaking 60 degrees-spin order in the A-site-ordered perovskite LaMn3V4O12

Takashi Saito*, Masayuki Toyoda, Clemens Ritter, Shoubao Zhang, Tamio Oguchi, J. Paul Attfield, Yuichi Shimakawa

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The magnetism of the A-site-ordered perovskite LaMn3V4O12 is studied comprehensively by means of neutron powder diffraction experiments and theoretical calculations. Magnetic neutron diffraction results show that a rhombohedral 60 degrees spin structure emerges on the cubic lattice below a 44-K Neel transition. Ab initio electronic structure calculations confirm that high-spin Mn2+ moments are localized while V 3d-band states are itinerant, and that the noncollinear 60 degrees spin structure is more stable than collinear ferromagnetic or G-type antiferromagnetic alternatives. Effective Heisenberg model calculations reveal that the appearance of such a nontrivial spin structure can be attributed to significant next-nearest-neighbor and third-nearest-neighbor magnetic interactions.

Original languageEnglish
Article number214405
Number of pages6
JournalPhysical Review B
Volume90
Issue number21
DOIs
Publication statusPublished - 1 Dec 2014

Keywords

  • INITIO MOLECULAR-DYNAMICS
  • TOTAL-ENERGY CALCULATIONS
  • AUGMENTED-WAVE METHOD
  • WEAK FERROMAGNETISM
  • BASIS-SET
  • DIFFRACTION
  • MAGNETISM
  • METALS

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