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| VOLUME 105 (2017) | ISSUE 6 | PAGE 356 |
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Magnetic properties of Li2RuO3 as studied by NMR and LDA+DMFT calculations1)
I. Yu. Arapova+, A. L. Buzlukov+, A. Yu. Germov+, K. N. Mikhalev+, T.-Y. Tan*×, J.-G. Park*×, S. V. Streltsov+° 2)
+M.N. Miheev Institute of Metal Physics, 620990 Ekaterinburg, Russia *Center for Correlated Electron Systems, Institute for Basic Science (IBS), Seoul 151-747, Korea ×Department of Physics and Astronomy, Seoul National University, Seoul 151-747, Korea °Ural Federal University, 620002 Ekaterinburg, Russia
Abstract
We present results of the combined study of the magnetic properties of Li2RuO3 by means of nuclear magnetic resonance (NMR) spectroscopy and theoretical dynamical mean-field theory (LDA+DMFT) calculations. The NMR data clearly show the onset of a thermal activation process in the high temperature region, T>560 K, which is tentatively ascribed to the formation of the valence bond liquid. The LDA+DMFT calculations demonstrate that the magnetic response at these temperatures is mostly due to the xz/yz orbitals, while the xy orbitals of Ru still form molecular orbitals. Thus, Ru ions are in the orbital-selective state in the high temperature phase of Li2RuO3. |