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Journal of the Korean Physical Society

, Volume 73, Issue 11, pp 1691–1697 | Cite as

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

  • Hoshin Gong
  • Kyoo Kim
  • Sungdae Ji
  • Bongjae KimEmail author
  • B. I. Min
Article
  • 29 Downloads

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.

Keywords

A-RuCl3 Kitaev system Spin-orbit coupling Coulomb interaction Hund 

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Copyright information

© The Korean Physical Society 2018

Authors and Affiliations

  • Hoshin Gong
    • 1
    • 2
  • Kyoo Kim
    • 2
  • Sungdae Ji
    • 2
  • Bongjae Kim
    • 2
    • 3
    Email author
  • B. I. Min
    • 4
  1. 1.Department of PhysicsPohang University of Science and TechnologyPohangKorea
  2. 2.Max Planck POSTECH/Hsinchu Center for Complex Phase MaterialsPOSTECHPohangKorea
  3. 3.Department of PhysicsKunsan National UniversityGunsanKorea
  4. 4.Department of PhysicsPohang University of Science and TechnologyPohangKorea

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