Orbital ordering in paramagnetic LaMnO3 and KCuF3

J. E. Medvedeva, M. A. Korotin, V. I. Anisimov, Arthur J Freeman

Research output: Contribution to journalArticle

49 Citations (Scopus)

Abstract

Ab initio studies of the stability of orbital ordering, its coupling to magnetic structure and its possible origins (electron-phonon and/or electron-electron interactions) are reported for two perovskite systems, LaMnO3 and KCuF3. We present an average spin state calculational scheme that allowed us to treat a paramagnetic state and to succesfully describe the experimental magnetic or orbital phase diagram of both LaMnO3 and KCuF3 in crystal structures when the Jahn-Teller distortions are neglected. Hence, we conclude that the orbital ordering in both compounds is purely electronic in origin.

Original languageEnglish
Article number172413
Pages (from-to)1724131-1724134
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume65
Issue number17
Publication statusPublished - May 1 2002

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Electron-electron interactions
Jahn-Teller effect
Magnetic structure
Perovskite
Phase diagrams
Crystal structure
orbitals
Electrons
electron scattering
electrons
phase diagrams
crystal structure
electronics
perovskite

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Medvedeva, J. E., Korotin, M. A., Anisimov, V. I., & Freeman, A. J. (2002). Orbital ordering in paramagnetic LaMnO3 and KCuF3 Physical Review B - Condensed Matter and Materials Physics, 65(17), 1724131-1724134. [172413].

Orbital ordering in paramagnetic LaMnO3 and KCuF3 . / Medvedeva, J. E.; Korotin, M. A.; Anisimov, V. I.; Freeman, Arthur J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 65, No. 17, 172413, 01.05.2002, p. 1724131-1724134.

Research output: Contribution to journalArticle

Medvedeva, JE, Korotin, MA, Anisimov, VI & Freeman, AJ 2002, 'Orbital ordering in paramagnetic LaMnO3 and KCuF3 ', Physical Review B - Condensed Matter and Materials Physics, vol. 65, no. 17, 172413, pp. 1724131-1724134.
Medvedeva JE, Korotin MA, Anisimov VI, Freeman AJ. Orbital ordering in paramagnetic LaMnO3 and KCuF3 Physical Review B - Condensed Matter and Materials Physics. 2002 May 1;65(17):1724131-1724134. 172413.
Medvedeva, J. E. ; Korotin, M. A. ; Anisimov, V. I. ; Freeman, Arthur J. / Orbital ordering in paramagnetic LaMnO3 and KCuF3 In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 65, No. 17. pp. 1724131-1724134.
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