Magnetic properties of Li2RuO3 as studied by NMR and LDA + DMFT calculations

We present results of the combined study of the magnetic properties of Li 2 RuO 3 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 temperatu...

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Bibliographic Details
Published in:JETP letters 2017-03, Vol.105 (6), p.375-379
Main Authors: Arapova, I. Yu, Buzlukov, A. L., Germov, A. Yu, Mikhalev, K. N., Tan, T.-Y., Park, J.-G., Streltsov, S. V.
Format: Article
Language:English
Subjects:
Atomic
Biological and Medical Physics
Biophysics
Condensed Matter
High temperature
Magnetic properties
Mathematical analysis
Mean field theory
Molecular
Molecular orbitals
NMR
NMR spectroscopy
Nuclear magnetic resonance
Optical and Plasma Physics
Particle and Nuclear Physics
Physics
Physics and Astronomy
Quantum Information Technology
Solid State Physics
Spintronics
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Summary:We present results of the combined study of the magnetic properties of Li 2 RuO 3 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 > 560K, 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 Li 2 RuO 3 .
ISSN:0021-3640
1090-6487
DOI:10.1134/S0021364017060017