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

Article

关键词: STRONGLY CORRELATED SYSTEMS;    ELECTRONIC-STRUCTURE;    SPECTRA;   

DOI  :  10.1103/PhysRevB.86.064429

来源: SCIE

【 摘 要 】

The magnetic and electronic properties of Ba4Ru3O10 were investigated by the ab initio and model calculations. It is shown that nonmagnetic ground state of the one-third Ru4+ 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.

【 授权许可】

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