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

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 ff-RuCl3 having the R3 symmetry, which is in close proximity of the Kitaev system. We show that both the size and the directio...

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Published inJournal of the Korean Physical Society pp. 1691 - 1697
Main Authors Hoshin Gong, Kyoo Kim, Sungdae Ji, 김봉재, B. I. Min
Format Journal Article
LanguageEnglish
Published 한국물리학회 01.12.2018
Subjects
물리학
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ISSN0374-4884
1976-8524
DOI10.3938/jkps.73.1691

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Summary: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 ff-RuCl3 having the R3 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. KCI Citation Count: 0
ISSN:0374-4884
1976-8524
DOI:10.3938/jkps.73.1691