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Paper detail

Doping Induced Spin State Transition in LaCoO3: Dynamical Mean-Field Study

Hole and electron doped LaCoO3 is studied using dynamical mean-field theory. The one-particle spectra are analyzed and compared to the available experimental data, in particular the x-ray absorption spectra. Analyzing the temporal spin-spin correlation functions we find the atomic intermediate spin state is not important for the observed Curie-Weiss susceptibility. Contrary to the commonly held view about the roles played by the t2g and eg electrons we find narrow quasiparticle bands of t2g character crossing the Fermi level accompanied by strongly damped eg excitations.

preprint2013arXivOpen access
P. AugustinskyV. KrapekJ. Kunes
cond-mat.str-elcond-mat.mtrl-sci
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P. AugustinskyV. KrapekJ. Kunes

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