Orbital ordering in La0.5Sr1.5MnO4 studied by model Hartree-Fock calculation

K. Ebata*, T. Mizokawa, A. Fujimori

*この研究の対応する著者

研究成果: Article査読

10 被引用数 (Scopus)

抄録

We have investigated orbital ordering in the half-doped manganite La0.5Sr1.5MnO4, which displays spin, charge, and orbital ordering, by means of unrestricted Hartree-Fock calculations on the multiband p-d model. From a recent experiment, it has become clear that La0.5Sr1.5MnO4 exhibits a cross-type (z2-x2/y2-z2) orbital ordering rather than the widely believed rod-type (3x2-r2/3y2-r2) orbital ordering. The calculation reveals that cross-type (z2-x2/y2-z2) orbital ordering results from an effect of in-plane distortion as well as from the relatively long out-of-plane Mn-O distance. For the "Mn4+" site, it is shown that the elongation along the c axis of the MnO6 octahedra leads to an anisotropic charge distribution rather than the isotropic one.

本文言語English
論文番号233104
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
72
23
DOI
出版ステータスPublished - 2005 12 15
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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