Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10

S. V. Streltsov; D. I. Khomskii

doi:10.1103/physrevb.86.064429

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arXiv · 1208.1621

Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10

S. V. Streltsov·D. I. Khomskii

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Abstract

The magnetic and electronic properties of Ba$_4$Ru$_3$O$_{10}$ were investigated by the ab-initio and model calculations. It is shown that nonmagnetic ground state of the one-third Ru$^{4+}$ ions is not due to the correlation effects. It is rather caused by the charge disproportionation between crystallographically different Ru and the molecular orbital formation in the Ru's trimer.

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S. V. Streltsov, D. I. Khomskii. 2012-08-08. Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10. https://doi.org/10.1103/physrevb.86.064429

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