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

K. Ebata, Takashi Mizokawa, A. Fujimori

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number233104
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number23
DOIs
Publication statusPublished - 2005 Dec 15
Externally publishedYes

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orbitals
Charge distribution
Elongation
Experiments
charge distribution
elongation
rods
manganite

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Orbital ordering in La0.5Sr1.5MnO4 studied by model Hartree-Fock calculation. / Ebata, K.; Mizokawa, Takashi; Fujimori, A.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 72, No. 23, 233104, 15.12.2005.

Research output: Contribution to journalArticle

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