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http://dx.doi.org/10.3938/jkps.73.1691

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

Gong, Hoshin (Department of Physics, Pohang University of Science and Technology)
Kim, Kyoo (Department of Physics, Pohang University of Science and Technology)
Ji, Sungdae (Max Planck POSTECH/Hsinchu Center for Complex Phase Materials, POSTECH)
Kim, Bongjae (Max Planck POSTECH/Hsinchu Center for Complex Phase Materials, POSTECH)
Min, B.I. (Department of Physics, Pohang University of Science and Technology)
Publication Information
Journal of the Korean Physical Society / v.73, no.11, 2018 , pp. 1691-1697 More about this Journal
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 ${\alpha}-RuCl_3$ 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 $j^{eff}$ picture is accessed upon interaction parameters, and the explicit roles of Hund's interaction in the local electronic structures and magnetic properties are discussed.
Keywords
A-RuCl3; Kitaev system; Spin-orbit coupling; Coulomb interaction; Hund;
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