Magnetic moment suppression in Ba3CoRu2O9: Hybridization effect

Article

关键词: LDA+U METHOD;    TRANSITION;    CRYSTAL;    NI;    FE;    CO;   

DOI  :  10.1103/PhysRevB.88.024429

来源: SCIE

【 摘 要 】

An unusual orbital state was recently proposed to explain the magnetic and transport properties of Ba3CoRu2O9 [H. Zhou et al., Phys. Rev. B. 85, 041201 (2012)]. We show that this state contradicts the first Hund's rule and does not realize in the system under consideration because of a too small crystal-field splitting in the t(2g) shell. A strong suppression of the local magnetic moment in Ba3CoRu2O9 is attributed to a strong hybridization between the Ru 4d and O 2p states.

【 授权许可】

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