Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10
classification
❄️ cond-mat.str-el
keywords
chargedisproportionationformationmolecularorbitalab-initioba4ru3o10calculations
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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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