The Saga of $α$-RuCl$_3$: Parameters, Models, and Phase Diagrams

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Autori principali: Möller, Marius, Maksimov, P. A., Jiang, Shengtao, White, Steven R., Valenti, Roser, Chernyshev, A. L.
Natura: Preprint
Pubblicazione: 2025
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author Möller, Marius
Maksimov, P. A.
Jiang, Shengtao
White, Steven R.
Valenti, Roser
Chernyshev, A. L.
author_facet Möller, Marius
Maksimov, P. A.
Jiang, Shengtao
White, Steven R.
Valenti, Roser
Chernyshev, A. L.
contents RuCl$_3$ was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the $_{44}$Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant and confusing, until a decade ago when its allotropic form $α$-RuCl$_3$ rose to exceptional prominence. This "re-discovery" of $α$-RuCl$_3$ has not only reshaped the hunt for a material manifestation of the Kitaev spin liquid, but it has opened the floodgates of theoretical and experimental research in the many unusual phases and excitations that the anisotropic-exchange magnets as a class of compounds have to offer. Given its importance for the field of Kitaev materials, it is astonishing that the low-energy spin model that describes this compound and its possible proximity to the much-desired spin-liquid state is still a subject of significant debate ten years later. In the present study, we argue that the existing key phenomenological observations put strong natural constraints on the effective microscopic spin model of $α$-RuCl$_3$, and specifically on its spin-orbit-induced anisotropic-exchange parameters that are responsible for the non-trivial physical properties of this material. These constraints allow one to focus on the relevant region of the multi-dimensional phase diagram of the $α$-RuCl$_3$ model, suggest an intuitive description of it via a different parametrization of the exchange matrix, offer a unifying view on the earlier assessments of its parameters, and bring closer together several approaches to the derivation of anisotropic-exchange models. We explore extended phase diagrams relevant to the $α$-RuCl$_3$ parameter space using quasi-classical, Luttinger-Tisza, exact diagonalization, and density-matrix renormalization group methods, demonstrating a remarkably c... (arxiv cutoff; for the rest, see the paper)
format Preprint
id arxiv_https___arxiv_org_abs_2502_08698
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle The Saga of $α$-RuCl$_3$: Parameters, Models, and Phase Diagrams
Möller, Marius
Maksimov, P. A.
Jiang, Shengtao
White, Steven R.
Valenti, Roser
Chernyshev, A. L.
Strongly Correlated Electrons
RuCl$_3$ was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the $_{44}$Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant and confusing, until a decade ago when its allotropic form $α$-RuCl$_3$ rose to exceptional prominence. This "re-discovery" of $α$-RuCl$_3$ has not only reshaped the hunt for a material manifestation of the Kitaev spin liquid, but it has opened the floodgates of theoretical and experimental research in the many unusual phases and excitations that the anisotropic-exchange magnets as a class of compounds have to offer. Given its importance for the field of Kitaev materials, it is astonishing that the low-energy spin model that describes this compound and its possible proximity to the much-desired spin-liquid state is still a subject of significant debate ten years later. In the present study, we argue that the existing key phenomenological observations put strong natural constraints on the effective microscopic spin model of $α$-RuCl$_3$, and specifically on its spin-orbit-induced anisotropic-exchange parameters that are responsible for the non-trivial physical properties of this material. These constraints allow one to focus on the relevant region of the multi-dimensional phase diagram of the $α$-RuCl$_3$ model, suggest an intuitive description of it via a different parametrization of the exchange matrix, offer a unifying view on the earlier assessments of its parameters, and bring closer together several approaches to the derivation of anisotropic-exchange models. We explore extended phase diagrams relevant to the $α$-RuCl$_3$ parameter space using quasi-classical, Luttinger-Tisza, exact diagonalization, and density-matrix renormalization group methods, demonstrating a remarkably c... (arxiv cutoff; for the rest, see the paper)
title The Saga of $α$-RuCl$_3$: Parameters, Models, and Phase Diagrams
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2502.08698