G-type antiferromagnetism and orbital ordering due to the crystal field from the rare-earth ions induced by the GdFeO 3-type distortion in RTiO 3 where R = La, Pr, Nd and Sm

Masahito Mochizuki, Masatoshi Imada

Research output: Contribution to journalArticle

22 Citations (Scopus)

Abstract

The origin of the antiferromagnetic order and puzzling properties of LaTiO 3 as well as the magnetic phase diagram of the perovskite titanates are studied theoretically. We show that in LaTiO 3, the t 2g degeneracy is eventually lifted by the La cations in the GdFeO 3-type structure, which generates a crystal field. This allows the description of the low-energy structure of LaTiO 3 by a single-band Hubbard model as a good starting point. The lowest-orbital occupation in this crystal field stabilizes the AFM(G) state, and well explains the spin-wave spectrum of LaTiO 3 obtained by the neutron scattering experiment. The orbital-spin structures for RTiO 3 where R = Pr, Nd and Sm are also accounted for by the same mechanism. We point out that through generating the R crystal field, the GdFeO 3-type distortion has a universal relevance in determining the orbital-spin structure of the perovskite compounds in competition with the Jahn-Teller mechanism, which has been overlooked in the literature. Since the GdFeO 3-type distortion is a universal phenomenon as is seen in a large number of perovskite compounds, this mechanism may also play important roles in other compounds of this type.

Original languageEnglish
Pages (from-to)1833-1850
Number of pages18
JournalJournal of the Physical Society of Japan
Volume73
Issue number7
DOIs
Publication statusPublished - 2004 Jul
Externally publishedYes

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antiferromagnetism
crystal field theory
rare earth elements
orbitals
titanates
ions
occupation
magnons
neutron scattering
phase diagrams
atomic force microscopy
cations
energy

Keywords

  • Crystal field splitting
  • G-type antiferromagnetism
  • GdFeO -type distortion
  • Orbital degeneracy
  • Orbital ordering
  • Perovskite titanate
  • Rare-earth cation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

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abstract = "The origin of the antiferromagnetic order and puzzling properties of LaTiO 3 as well as the magnetic phase diagram of the perovskite titanates are studied theoretically. We show that in LaTiO 3, the t 2g degeneracy is eventually lifted by the La cations in the GdFeO 3-type structure, which generates a crystal field. This allows the description of the low-energy structure of LaTiO 3 by a single-band Hubbard model as a good starting point. The lowest-orbital occupation in this crystal field stabilizes the AFM(G) state, and well explains the spin-wave spectrum of LaTiO 3 obtained by the neutron scattering experiment. The orbital-spin structures for RTiO 3 where R = Pr, Nd and Sm are also accounted for by the same mechanism. We point out that through generating the R crystal field, the GdFeO 3-type distortion has a universal relevance in determining the orbital-spin structure of the perovskite compounds in competition with the Jahn-Teller mechanism, which has been overlooked in the literature. Since the GdFeO 3-type distortion is a universal phenomenon as is seen in a large number of perovskite compounds, this mechanism may also play important roles in other compounds of this type.",
keywords = "Crystal field splitting, G-type antiferromagnetism, GdFeO -type distortion, Orbital degeneracy, Orbital ordering, Perovskite titanate, Rare-earth cation",
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AB - The origin of the antiferromagnetic order and puzzling properties of LaTiO 3 as well as the magnetic phase diagram of the perovskite titanates are studied theoretically. We show that in LaTiO 3, the t 2g degeneracy is eventually lifted by the La cations in the GdFeO 3-type structure, which generates a crystal field. This allows the description of the low-energy structure of LaTiO 3 by a single-band Hubbard model as a good starting point. The lowest-orbital occupation in this crystal field stabilizes the AFM(G) state, and well explains the spin-wave spectrum of LaTiO 3 obtained by the neutron scattering experiment. The orbital-spin structures for RTiO 3 where R = Pr, Nd and Sm are also accounted for by the same mechanism. We point out that through generating the R crystal field, the GdFeO 3-type distortion has a universal relevance in determining the orbital-spin structure of the perovskite compounds in competition with the Jahn-Teller mechanism, which has been overlooked in the literature. Since the GdFeO 3-type distortion is a universal phenomenon as is seen in a large number of perovskite compounds, this mechanism may also play important roles in other compounds of this type.

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