Electronic Structures of Kitaev Magnet Candidates RuCl

Subhasis Samanta, Dukgeun Hong, Heung-Sik Kim

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Article in Nanomaterials (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

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1 citing paper in PubMed.

Theoretical Calculation Study of Nanomaterials.Nanomaterials (Basel, Switzerland) · 2026
Article

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Authors and funding

3 authors.

Subhasis SamantaDepartment of Physics, Kangwon National University, Chuncheon 24341, Republic of Korea.

Dukgeun HongDepartment of Physics, Kangwon National University, Chuncheon 24341, Republic of Korea.

Heung-Sik KimDepartment of Physics, Kangwon National University, Chuncheon 24341, Republic of Korea.ORCID 0000-0003-0691-7605

Funding

National Research Foundation of Korea NRF-2019H1D3A1A01102984National Research Foundation of Korea NRF-2020R1C1C1005900National Research Foundation of Korea RS-2023-0022047National Supercomputing Center of Korea KSC-2022-CRE-0358

6 · The paper itself

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-RuCl3 has been the most promising candidate, and there have been several reports on the realization of sibling compounds α-RuBr3 and α-RuI3 with the same crystal structure. Here, we investigate correlated electronic structures of α-RuCl3 and α-RuI3 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-RuI3, and suggests a potential realization of correlated flat bands with strong spin-orbit coupling and a quantum spin-Hall insulating phase in α-RuI3.

Indexed as

density functional theorydynamical mean-field theoryfirst-principles electronic structure calculationhoneycomb latticeKitaev magnetismlayered compoundsspin–orbit coupling

Identifiers

PMID38202464

DOI10.3390/nano14010009

PMCPMC10780606

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