1. Electronic Structures of Kitaev Magnet Candidates RuCl 3 and RuI 3.
- Author
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Samanta, Subhasis, Hong, Dukgeun, and Kim, Heung-Sik
- Subjects
- *
ELECTRONIC structure , *SPIN-orbit interactions , *MEAN field theory , *MAGNETS , *TRANSITION metals , *HONEYCOMB structures - Abstract
Layered honeycomb magnets with strong atomic spin–orbit coupling at transition metal sites have been intensively studied for the search of Kitaev magnetism and the resulting non-Abelian braiding statistics. α -RuCl 3 has been the most promising candidate, and there have been several reports on the realization of sibling compounds α -RuBr 3 and α -RuI 3 with the same crystal structure. Here, we investigate correlated electronic structures of α -RuCl 3 and α -RuI 3 by employing first-principles dynamical mean-field theory. Our result provides a valuable insight into the discrepancy between experimental and theoretical reports on transport properties of α -RuI 3 , and suggests a potential realization of correlated flat bands with strong spin–orbit coupling and a quantum spin-Hall insulating phase in α -RuI 3 . [ABSTRACT FROM AUTHOR]
- Published
- 2024
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