Spin-charge-orbital ordering in hollandite-type manganites studied by model hartree-fock calculation

Makoto Fukuzawa, Daiki Ootsuki, Takashi Mizokawa

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Abstract

We have studied spin-charge-orbital orderings in a Mn3+/Mn 4+ mixed valence state on a hollandite-type lattice using unrestricted Hartree-Fock calculation on a multi-band Mn 3d-O 2p lattice model. The calculations show that all the Mn3+-Mn4+, Mn 3+-Mn3+, and Mn4+-Mn4+ superexchange interactions are ferromagnetic and play important roles to stabilize the charge and orbital ordering patterns. The most stable charge and orbital ordering pattern is consistent with the 1 × 1 × 1 orthorhombic or monoclinic structure of K1.6Mn8O16.

Original languageEnglish
Article number074708
JournalJournal of the Physical Society of Japan
Volume82
Issue number7
DOIs
Publication statusPublished - 2013 Jul
Externally publishedYes

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Keywords

  • Charge order
  • Hollandite
  • Manganite
  • Orbital order

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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