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Article
Coulomb Correlation and Magnetic Ordering in Double-Layered Manganites: LaSr₂Mn₂O₇
Journal of Magnetism and Magnetic Materials
  • Julia E. Medvedeva, Missouri University of Science and Technology
  • Vladimir I. Anisimov
  • Michael A. Korotin
  • Oleg N. Mryasov
  • Arthur J. Freeman
Abstract

A detailed study of the electronic structure and magnetic configurations of the 50% hole-doped double-layered manganite LaSr2Mn2O7 is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons (i) significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and (ii) promotes strong anisotropy in electrical transport, reducing the effective hopping parameter along the c-axis for electrically active eg electrons. This finding is consistent with observations of anisotropic transport-a property which sets this manganite apart from conventional 3D systems. A half-metallic band structure is predicted with both the LSDA and LSDA+U methods. The experimentally observed A-type AFM ordering in LaSr2Mn2O7 is found to be energetically more favorable with U≥7eV. A simple interpretation of interlayer exchange coupling is given within double and super-exchange mechanisms based on the dependencies on U of the effective exchange parameters and eg state sub-band widths.

Department(s)
Physics
Keywords and Phrases
  • Band Structure,
  • Correlation Theory,
  • Electronic Structure,
  • Lanthanum Compounds,
  • Magnetic Anisotropy,
  • Magnetization,
  • Transport Properties,
  • Coulomb Correlations,
  • Double-layered Manganites,
  • Magnetic Configurations,
  • Magnetic Materials
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2001 Elsevier, All rights reserved.
Publication Date
11-1-2001
Publication Date
01 Nov 2001
Disciplines
Citation Information
Julia E. Medvedeva, Vladimir I. Anisimov, Michael A. Korotin, Oleg N. Mryasov, et al.. "Coulomb Correlation and Magnetic Ordering in Double-Layered Manganites: LaSr₂Mn₂O₇" Journal of Magnetism and Magnetic Materials Vol. 237 Iss. 1 (2001) p. 47 - 54 ISSN: 0304-8853
Available at: http://works.bepress.com/julia-medvedeva/47/