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Hallmarks of Hunds coupling in the Mott insulator Ca 2 RuO 4
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Hallmarks of Hunds coupling in the Mott insulator Ca 2 RuO 4

D. Sutter, C.G. Fatuzzo, S. Moser, M. Kim, R. Fittipaldi, A. Vecchione, V. Granata, Y. Sassa, F. Cossalter, G. Gatti, …
Nature Communications, 卷.8, 15176
05/2017

摘要

Chemistry (all) Biochemistry Genetics and Molecular Biology (all) Physics and Astronomy (all)
A paradigmatic case of multi-band Mott physics including spin-orbit and Hund's coupling is realized in Ca 2 RuO 4 . Progress in understanding the nature of this Mott insulating phase has been impeded by the lack of knowledge about the low-energy electronic structure. Here we provide - using angle-resolved photoemission electron spectroscopy - the band structure of the paramagnetic insulating phase of Ca 2 RuO 4 and show how it features several distinct energy scales. Comparison to a simple analysis of atomic multiplets provides a quantitative estimate of the Hund's coupling J=0.4 eV. Furthermore, the experimental spectra are in good agreement with electronic structure calculations performed with Dynamical Mean-Field Theory. The crystal field stabilization of the d xy orbital due to c-axis contraction is shown to be essential to explain the insulating phase. These results underscore the importance of multi-band physics, Coulomb interaction and Hund's coupling that together generate the Mott insulating state of Ca 2 RuO 4 .

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