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Magnetism in α-RuCl3: Dependence on Coulomb Interaction and Hund’s Coupling

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Abstract

Employing the density functional theory, we have investigated the roles of Coulomb and Hund’s interactions in the electronic and magnetic properties of newly discovered α-RuCl3 having the R\(\overline 3 \) symmetry, which is in close proximity of the Kitaev system. We show that both the size and the direction of local magnetic moment are highly dependent on Coulomb and Hund’s interactions, and the spin and orbital parts show different behaviors. The validity of the so-called jeff picture is accessed upon interaction parameters, and the explicit roles of Hund’s interaction in the local electronic structures and magnetic properties are discussed.

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Authors and Affiliations

  1. Department of Physics, Pohang University of Science and Technology, Pohang, 37673, Korea

    Hoshin Gong

  2. Max Planck POSTECH/Hsinchu Center for Complex Phase Materials, POSTECH, Pohang, 37673, Korea

    Hoshin Gong, Kyoo Kim, Sungdae Ji & Bongjae Kim

  3. Department of Physics, Kunsan National University, Gunsan, 54150, Korea

    Bongjae Kim

  4. Department of Physics, Pohang University of Science and Technology, Pohang, 37673, Korea

    B. I. Min

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  1. Hoshin Gong
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  2. Kyoo Kim
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  4. Bongjae Kim
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Correspondence to Bongjae Kim.

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Gong, H., Kim, K., Ji, S. et al. Magnetism in α-RuCl3: Dependence on Coulomb Interaction and Hund’s Coupling. J. Korean Phys. Soc. 73, 1691–1697 (2018). https://doi.org/10.3938/jkps.73.1691

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  • DOI: https://doi.org/10.3938/jkps.73.1691

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