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LiNbO3-type InFeO3: Room-temperature polar magnet without second-order Jahn-Teller active ions

Authors
  • Fujita, K.
  • Kawamoto, T.
  • Yamada, I.
  • Hernandez, O.
  • Hayashi, N.
  • Akamatsu, H.
  • Lafargue-Dit-Hauret, W.
  • Rocquefelte, X.
  • Fukuzumi, M.
  • Manuel, P.
  • Studer, A.J.
  • Knee, C.S.
  • Tanaka, K.
Publication Date
Jan 01, 2016
Source
HAL-UPMC
Keywords
Language
English
License
Unknown
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Abstract

Great effort has been devoted to developing single-phase magnetoelectric multiferroics, but room-temperature coexistence of large electric polarization and magnetic ordering still remains elusive. Our recent finding shows that such polar magnets can be synthesized in small-tolerance-factor perovskites AFeO3 with unusually small cations at the A-sites, which are regarded as having a LiNbO3-type structure (space group R3c). Herein, we experimentally reinforce this finding by preparing a novel room-temperature polar magnet, LiNbO3-type InFeO3. This compound is obtained as a metastable quench product from an orthorhombic perovskite phase stabilized at 15 GPa and an elevated temperature. The structure analyses reveal that the polar structure is characterized by displacements of In3+ (d10) and Fe3+ (d5) ions along the hexagonal c-axis (pseudocubic [111] axis) from their centrosymmetric positions, in contrast to well-known perovskite ferroelectrics (e.g., BaTiO3, PbTiO3, and BiFeO3) where d0 transition-metal ions and/or 6s2 lone-pair cations undergo polar displacements through the so-called second-order Jahn-Teller (SOJT) distortions. Using density functional theory calculations, the electric polarization of LiNbO3-type InFeO3 is estimated to be 96 μC/cm2 along the c-axis, comparable to that of an isostructural and SOJT-active perovskite ferroelectric, BiFeO3 (90-100 μC/cm2). Magnetic studies demonstrate weak ferromagnetic behavior at room temperature, as a result of the canted G-type antiferromagnetic ordering of Fe3+ moments below TN ∼ 545 K. The present work shows the functional versatility of small-tolerance-factor perovskites and provides a useful guide for the synthesis and design of room-temperature polar magnets. © 2016 American Chemical Society.

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