論文

査読有り
2013年7月15日

Spin–Charge–Orbital Ordering in Hollandite-Type Manganites Studied by Model Hartree–Fock Calculation

J Phys Soc Jpn
  • FUKUZAWA Makoto
  • ,
  • OOTSUKI Daiki
  • ,
  • MIZOKAWA Takashi

82
7
開始ページ
074708
終了ページ
074708
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.7566/jpsj.82.074708
出版者・発行元
The Physical Society of Japan

We have studied spin--charge--orbital orderings in a Mn3+/Mn4+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+, Mn3+--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\times 1\times 1 orthorhombic or monoclinic structure of K<inf>1.6</inf>Mn<inf>8</inf>O<inf>16</inf>.

リンク情報
DOI
https://doi.org/10.7566/jpsj.82.074708
CiNii Articles
http://ci.nii.ac.jp/naid/40019696943
CiNii Books
http://ci.nii.ac.jp/ncid/AA00704814
URL
http://journals.jps.jp/doi/pdf/10.7566/JPSJ.82.074708
ID情報
  • DOI : 10.7566/jpsj.82.074708
  • ISSN : 0031-9015
  • eISSN : 1347-4073
  • CiNii Articles ID : 40019696943
  • CiNii Books ID : AA00704814
  • ORCIDのPut Code : 78934340

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