Dresden 2011 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 33: CE: Metal-Insulator Transition 1

TT 33.6: Talk

Wednesday, March 16, 2011, 12:00–12:15, HSZ 105

Total Energy Study of Orbital Ordering Phenomena with LDA+DMFT — •Andreas Flesch¹, Erik Koch², and Eva Pavarini¹ — ¹Institut für Festkörperforschung and Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich — ²German Research School for Simulation Sciences, 52425 Jülich

Orbital and magnetic ordering phenomena play a crucial role in the physics of strongly correlated transition-metal oxides. LaMnO₃, the parent compound of the colossal magnetoresistance manganites, is considered a textbook example of an orbitally ordered material. To determine the orbital and spin order in this system, we perform low temperature total energy [1,2] calculations based on the LDA+DMFT approach. Consequences for the origin of the cooperative Jahn-Teller distortions [3] will be discussed.

[1] B. Amadon et al., PRL 96, 066402 (2006)

[2] I. Leonov et al., PRL 101, 096405 (2008)

[3] E. Pavarini and E. Koch, PRL 104, 086402 (2010)