The role of Coulomb correlation in magnetic and transport properties of doped manganites: La0.5Sr0.5MnO3 and LaSr2Mn2O7

Julia E. Medvedeva, Vladimir I. Anisimov, Oleg N. Mryasov, Arthur J Freeman

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

Results of local spin-density approximation (LSDA) and LSDA+U calculations of the electronic structure and magnetic configurations of the 50% hole-doped pseudocubic perovskite La0.5Sr0.5MnO3 and double-layered LaSr2Mn2O7 are presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons has a very different influence on the (i) band structures, (ii) magnetic ground states, (iii) interlayer exchange interactions, and (iv) anisotropy of the electrical transport in these two manganites. A p-d hybridization analysis is employed to look for possible explanations for the LSDA failing to predict the observed magnetic and transport properties of the double-layered compound - in contrast to the case for the doped perovskite manganite.

Original languageEnglish
Pages (from-to)4533-4542
Number of pages10
JournalJournal of Physics Condensed Matter
Volume14
Issue number17
DOIs
Publication statusPublished - May 6 2002

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Manganites
Perovskite
Transport properties
Magnetic properties
transport properties
magnetic properties
Exchange interactions
approximation
Band structure
Ground state
Electronic structure
Anisotropy
Electrons
interlayers
electronic structure
anisotropy
ground state
configurations
perovskite
electrons

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

The role of Coulomb correlation in magnetic and transport properties of doped manganites : La0.5Sr0.5MnO3 and LaSr2Mn2O7. / Medvedeva, Julia E.; Anisimov, Vladimir I.; Mryasov, Oleg N.; Freeman, Arthur J.

In: Journal of Physics Condensed Matter, Vol. 14, No. 17, 06.05.2002, p. 4533-4542.

Research output: Contribution to journalArticle

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