Journal Article

PreJuSER-22914

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Orbital-order melting in rare-earth manganites: Role of superexchange

Flesch, A.FZJ* ; Zhang, G.FZJ* ; Koch, E. ; Pavarini, E.FZJ*

2012
APS College Park, Md.

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Please use a persistent id in citations: http://hdl.handle.net/2128/10841  doi:10.1103/PhysRevB.85.035124

Abstract: We study the mechanism of orbital-order melting observed at temperature T-OO in the series of rare-earth manganites. We find that the purely electronic many-body super-exchange mechanism yields a transition temperature T-KK that decreases with decreasing rare-earth radius and increases with pressure, opposite to the experimental T-OO. We show that the tetragonal crystal-field splitting reduces T-KK further increasing the discrepancies with experiments. This proves that super-exchange effects, although very efficient, in the light of experimentally observed trends play a minor role for the melting of orbital ordering in rare-earth manganites.

Keyword(s): J

Note: We thank I. Loa and K. Syassen for sharing unpublished data. Calculations were done on the Julich Blue Gene/P and Juropa. We acknowledge financial support from the Deutsche Forschungsgemeinschaft through research unit FOR1346.

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Contributing Institute(s):

1. Theoretische Nanoelektronik (PGI-2)
2. Theoretische Nanoelektronik (IAS-3)

Research Program(s):

1. Grundlagen für zukünftige Informationstechnologien (P42)

Appears in the scientific report 2012

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Database coverage:
; ; ; Current Contents - Social and Behavioral Sciences ; JCR ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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